CID 799599

21269-78-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CCN1C2=CC=CC=C2N=C1CO

InChI

InChI=1S/C10H12N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-6,13H,2,7H2,1H3

InChIKey

YPMCFIDLEKUBHI-UHFFFAOYSA-N

Compound name

(1-ethylbenzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 176.09496 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]+	177.10224	136.0
[M+Na]+	199.08418	146.9
[M-H]-	175.08768	137.4
[M+NH4]+	194.12878	156.4
[M+K]+	215.05812	143.3
[M+H-H2O]+	159.09222	129.4
[M+HCOO]-	221.09316	158.5
[M+CH3COO]-	235.10881	178.5
[M+Na-2H]-	197.06963	143.4
[M]+	176.09441	138.7
[M]-	176.09551	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe