CID 11160239

109073-77-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1=CN=C(C=C1CO)C2=NC=CC(=C2)CO

InChI

InChI=1S/C12H12N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-6,15-16H,7-8H2

InChIKey

RRXGRDMHWYLJSY-UHFFFAOYSA-N

Compound name

[2-[4-(hydroxymethyl)pyridin-2-yl]pyridin-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 180
Patents: 216.08987 Da
Monoisotopic Mass: -0.3
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]+	217.09715	147.3
[M+Na]+	239.07909	155.7
[M-H]-	215.08259	149.0
[M+NH4]+	234.12369	161.8
[M+K]+	255.05303	151.1
[M+H-H2O]+	199.08713	139.1
[M+HCOO]-	261.08807	167.1
[M+CH3COO]-	275.10372	182.7
[M+Na-2H]-	237.06454	154.2
[M]+	216.08932	146.6
[M]-	216.09042	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe