CID 12727034

(3-methoxyphenyl)(pyridin-4-yl)methanol

Structural Information

Molecular Formula

C₁₃H₁₃NO₂

SMILES

COC1=CC=CC(=C1)C(C2=CC=NC=C2)O

InChI

InChI=1S/C13H13NO2/c1-16-12-4-2-3-11(9-12)13(15)10-5-7-14-8-6-10/h2-9,13,15H,1H3

InChIKey

NQSVTSGCCQLKHQ-UHFFFAOYSA-N

Compound name

(3-methoxyphenyl)-pyridin-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 215.09464 Da
Monoisotopic Mass: 1.6
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]+	216.10192	147.5
[M+Na]+	238.08386	162.0
[M+NH4]+	233.12846	155.9
[M+K]+	254.05780	155.0
[M-H]-	214.08736	151.1
[M+Na-2H]-	236.06931	157.0
[M]+	215.09409	150.6
[M]-	215.09519	150.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe