CID 58118799

908100-64-1

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC1=NC2=C(N1C)C=C(C=C2)C(=O)C

InChI

InChI=1S/C11H12N2O/c1-7(14)9-4-5-10-11(6-9)13(3)8(2)12-10/h4-6H,1-3H3

InChIKey

WFDLRKQQRZXODQ-UHFFFAOYSA-N

Compound name

1-(2,3-dimethylbenzimidazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.09496 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]+	189.10224	138.9
[M+Na]+	211.08418	150.7
[M-H]-	187.08768	142.1
[M+NH4]+	206.12878	159.7
[M+K]+	227.05812	147.6
[M+H-H2O]+	171.09222	132.3
[M+HCOO]-	233.09316	161.7
[M+CH3COO]-	247.10881	185.3
[M+Na-2H]-	209.06963	144.3
[M]+	188.09441	142.9
[M]-	188.09551	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe