CID 56604357

[3-(5-methylpyridin-2-yl)phenyl]methanol hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

CC1=CN=C(C=C1)C2=CC=CC(=C2)CO

InChI

InChI=1S/C13H13NO/c1-10-5-6-13(14-8-10)12-4-2-3-11(7-12)9-15/h2-8,15H,9H2,1H3

InChIKey

ZJBWWRCBAGZIMY-UHFFFAOYSA-N

Compound name

[3-(5-methyl-2-pyridinyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 199.09972 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.106996	143.0
[M+Na]+	222.088938	151.6
[M-H]-	198.092444	147.5
[M+NH4]+	217.133543	160.5
[M+K]+	238.062878	147.4
[M+H-H2O]+	182.096980	135.6
[M+HCOO]-	244.097921	165.2
[M+CH3COO]-	258.113571	183.3
[M+Na-2H]-	220.074386	149.9
[M]+	199.09917142	142.6
[M]-	199.10026858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe