CID 6481679

Schembl6299922

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(CC2=NC=CN2)O

InChI

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

InChIKey

KRLNGFZTKKINSI-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-2-yl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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	140.7
[M+Na]+	211.08418	147.3
[M-H]-	187.08768	141.9
[M+NH4]+	206.12878	157.6
[M+K]+	227.05812	143.3
[M+H-H2O]+	171.09222	132.8
[M+HCOO]-	233.09316	160.5
[M+CH3COO]-	247.10881	152.4
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	137.6
[M]-	188.09551	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe