CID 97831

3319-28-6

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(C1=NC2=CC=CC=C2N1C)O

InChI

InChI=1S/C10H12N2O/c1-7(13)10-11-8-5-3-4-6-9(8)12(10)2/h3-7,13H,1-2H3

InChIKey

HXNWGBPRRHESCL-UHFFFAOYSA-N

Compound name

1-(1-methylbenzimidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 8
Patents: 176.09496 Da
Monoisotopic Mass: 1.0
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]+	177.10224	136.4
[M+Na]+	199.08418	147.0
[M-H]-	175.08768	137.9
[M+NH4]+	194.12878	156.7
[M+K]+	215.05812	143.9
[M+H-H2O]+	159.09222	129.9
[M+HCOO]-	221.09316	157.9
[M+CH3COO]-	235.10881	179.4
[M+Na-2H]-	197.06963	142.6
[M]+	176.09441	138.4
[M]-	176.09551	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe