Metabolite Pyridostigmine

Name

Pyridostigmine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 181.2117
Monoisotopic: 181.09770267

Chemical Formula

C₉H₁₃N₂O₂

InChI Key

RVOLLAQWKVFTGE-UHFFFAOYSA-N

InChI

InChI=1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1

IUPAC Name

3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium

SMILES

CN(C)C(=O)OC1=C[N+](C)=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0006-9700000000-144f11d8d4fca931e26f
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	148.4403833	predicted	DarkChem Lite v0.1.0
[M-H]-	148.1016833	predicted	DarkChem Lite v0.1.0
[M-H]-	131.35751	predicted	DeepCCS 1.0 (2019)
[M-H]-	148.4403833	predicted	DarkChem Lite v0.1.0
[M-H]-	148.1016833	predicted	DarkChem Lite v0.1.0
[M-H]-	131.35751	predicted	DeepCCS 1.0 (2019)
[M+H]+	149.2595833	predicted	DarkChem Lite v0.1.0
[M+H]+	149.0467833	predicted	DarkChem Lite v0.1.0
[M+H]+	133.7541	predicted	DeepCCS 1.0 (2019)
[M+H]+	149.2595833	predicted	DarkChem Lite v0.1.0
[M+H]+	149.0467833	predicted	DarkChem Lite v0.1.0
[M+H]+	133.7541	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.8603833	predicted	DarkChem Lite v0.1.0
[M+Na]+	148.5700833	predicted	DarkChem Lite v0.1.0
[M+Na]+	139.8665	predicted	DeepCCS 1.0 (2019)
[M+Na]+	148.8603833	predicted	DarkChem Lite v0.1.0
[M+Na]+	148.5700833	predicted	DarkChem Lite v0.1.0
[M+Na]+	139.8665	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties