CID 17139289

64826-44-4

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC(=O)C1=CC2=C(C=C1)N(C(=O)N2C)C
InChI
InChI=1S/C11H12N2O2/c1-7(14)8-4-5-9-10(6-8)13(3)11(15)12(9)2/h4-6H,1-3H3
InChIKey
WRGKJJMOWIEJHK-UHFFFAOYSA-N
Compound name
5-acetyl-1,3-dimethylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

204.08987 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 140.7
[M+Na]+ 227.079088 153.6
[M-H]- 203.082594 144.3
[M+NH4]+ 222.123693 161.0
[M+K]+ 243.053028 150.5
[M+H-H2O]+ 187.087130 134.4
[M+HCOO]- 249.088071 163.9
[M+CH3COO]- 263.103721 187.8
[M+Na-2H]- 225.064536 145.5
[M]+ 204.08932142 145.8
[M]- 204.09041858 145.8
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