CID 11564597

881672-80-6

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

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

InChI

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

InChIKey

SARHWEGXARRGDZ-UHFFFAOYSA-N

Compound name

1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.09496 Da
Monoisotopic Mass: 2.2
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	140.1
[M+Na]+	211.08418	153.9
[M+NH4]+	206.12878	148.1
[M+K]+	227.05812	149.6
[M-H]-	187.08768	140.9
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	142.2
[M]-	188.09551	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe