CID 10397593

151055-79-7

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1=CC(=CC(=C1)CO)CN2C=CN=C2

InChI

InChI=1S/C11H12N2O/c14-8-11-3-1-2-10(6-11)7-13-5-4-12-9-13/h1-6,9,14H,7-8H2

InChIKey

TXQZIKDWFOLTSC-UHFFFAOYSA-N

Compound name

[3-(imidazol-1-ylmethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 188.09496 Da
Monoisotopic Mass: 0.7
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]+	189.10224	139.8
[M+Na]+	211.08418	148.2
[M-H]-	187.08768	142.7
[M+NH4]+	206.12878	157.8
[M+K]+	227.05812	144.6
[M+H-H2O]+	171.09222	131.8
[M+HCOO]-	233.09316	162.1
[M+CH3COO]-	247.10881	178.8
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	139.6
[M]-	188.09551	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe