CID 294532

5,6-dimethyl-1-benzimidazolemethanol

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC1=CC2=C(C=C1C)N(C=N2)CO

InChI

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

InChIKey

PFCNDSQZKWGKTN-UHFFFAOYSA-N

Compound name

(5,6-dimethylbenzimidazol-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.09496 Da
Monoisotopic Mass: 1.5
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	147.9
[M-H]-	175.08768	137.8
[M+NH4]+	194.12878	156.7
[M+K]+	215.05812	144.2
[M+H-H2O]+	159.09222	129.7
[M+HCOO]-	221.09316	158.5
[M+CH3COO]-	235.10881	179.7
[M+Na-2H]-	197.06963	142.6
[M]+	176.09441	139.1
[M]-	176.09551	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe