Metabolite Sulfamate

Name

Sulfamate

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

9NFU33906Q

CAS number

Not Available

Weight

Average: 97.094
Monoisotopic: 96.983363657

Chemical Formula

H₃NO₃S

InChI Key

IIACRCGMVDHOTQ-UHFFFAOYSA-N

InChI

InChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)

IUPAC Name

sulfamic acid

SMILES

NS(O)(=O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0002-9000000000-b80de3cb8454bb1abeb5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-9b9b0f18afc7d0f1ddec
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-fda8638f74314da827cd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-a62327ea3472a05640e1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002b-9000000000-bb01243d1ffe5480949c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-9000000000-baa4a3b7ffe653c64a8c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-9000000000-b057892b9336f9893d22

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	104.2268659	predicted	DarkChem Lite v0.1.0
[M-H]-	122.70497	predicted	DeepCCS 1.0 (2019)
[M+H]+	104.1172659	predicted	DarkChem Lite v0.1.0
[M+H]+	125.50244	predicted	DeepCCS 1.0 (2019)
[M+Na]+	103.7229659	predicted	DarkChem Lite v0.1.0
[M+Na]+	133.70142	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties