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]+ 189.10224 139.7
[M+Na]+ 211.08418 151.1
[M-H]- 187.08768 141.5
[M+NH4]+ 206.12878 159.8
[M+K]+ 227.05812 147.1
[M+H-H2O]+ 171.09222 133.4
[M+HCOO]- 233.09316 161.0
[M+CH3COO]- 247.10881 182.7
[M+Na-2H]- 209.06963 144.6
[M]+ 188.09441 141.8
[M]- 188.09551 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