CID 11564597

1-(5,6-dimethyl-1h-1,3-benzodiazol-2-yl)ethan-1-one

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.102236 139.7
[M+Na]+ 211.084178 151.1
[M-H]- 187.087684 141.5
[M+NH4]+ 206.128783 159.8
[M+K]+ 227.058118 147.1
[M+H-H2O]+ 171.092220 133.4
[M+HCOO]- 233.093161 161.0
[M+CH3COO]- 247.108811 182.7
[M+Na-2H]- 209.069626 144.6
[M]+ 188.09441142 141.8
[M]- 188.09550858 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe