CID 3407115

22098-62-0

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC=C(C=C1)C(C2=NC=CN2)O

InChI

InChI=1S/C10H10N2O/c13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-7,9,13H,(H,11,12)

InChIKey

APKDHLMIBHYURQ-UHFFFAOYSA-N

Compound name

1H-imidazol-2-yl(phenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 174.07932 Da
Monoisotopic Mass: 0.9
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]+	175.08660	136.1
[M+Na]+	197.06854	143.2
[M-H]-	173.07204	137.6
[M+NH4]+	192.11314	153.6
[M+K]+	213.04248	139.5
[M+H-H2O]+	157.07658	128.5
[M+HCOO]-	219.07752	156.3
[M+CH3COO]-	233.09317	148.3
[M+Na-2H]-	195.05399	141.7
[M]+	174.07877	132.7
[M]-	174.07987	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe