CID 3160407

20033-97-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1=CC2=C(C=C1)N=C(N2)C(C)O

InChI

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

InChIKey

PMZZBUJEPJUANN-UHFFFAOYSA-N

Compound name

1-(6-methyl-1H-benzimidazol-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 176.09496 Da
Monoisotopic Mass: 1.4
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	136.7
[M+Na]+	199.08418	149.8
[M+NH4]+	194.12878	144.8
[M+K]+	215.05812	145.9
[M-H]-	175.08768	137.2
[M+Na-2H]-	197.06963	142.3
[M]+	176.09441	138.6
[M]-	176.09551	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe