CID 32239

24155-47-3

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(CN2C=CN=C2)O

InChI

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

InChIKey

NTWZHQAXJSJOIB-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 71
Patents: 188.09496 Da
Monoisotopic Mass: 1.2
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	140.3
[M+Na]+	211.08418	147.4
[M-H]-	187.08768	142.9
[M+NH4]+	206.12878	157.9
[M+K]+	227.05812	144.3
[M+H-H2O]+	171.09222	132.1
[M+HCOO]-	233.09316	161.5
[M+CH3COO]-	247.10881	178.6
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	139.0
[M]-	188.09551	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe