Metabolite 4-(6-Methoxy-2-naphthyl)- butan-2-ol

Name

4-(6-Methoxy-2-naphthyl)- butan-2-ol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

394320Y6J8

CAS number

Not Available

Weight

Average: 230.307
Monoisotopic: 230.13067982

Chemical Formula

C₁₅H₁₈O₂

InChI Key

JNVOSYBERVWSGY-UHFFFAOYSA-N

InChI

InChI=1S/C15H18O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-11,16H,3-4H2,1-2H3

IUPAC Name

4-(6-methoxynaphthalen-2-yl)butan-2-ol

SMILES

COC1=CC2=C(C=C1)C=C(CCC(C)O)C=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0190000000-3023de0d50faf691eb66
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ufr-0920000000-d0fe30c8c0590a287f3f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0970000000-c823789f5a8b43fdf8c5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0imi-0930000000-593e42f745b9b9cf613e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-2910000000-d996ac1e99e0c8ae821f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-002b-0900000000-be1162c04a55fe0861b7

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	157.71487	predicted	DeepCCS 1.0 (2019)
[M+H]+	160.07288	predicted	DeepCCS 1.0 (2019)
[M+Na]+	166.16603	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties