CID 1653580

35681-40-4

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC(C)N1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13)
InChIKey
IKWYGATUQXCBFU-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

306
Patents

176.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 135.7
[M+Na]+ 199.08418 146.6
[M-H]- 175.08768 137.2
[M+NH4]+ 194.12878 156.0
[M+K]+ 215.05812 142.8
[M+H-H2O]+ 159.09222 129.3
[M+HCOO]- 221.09316 157.4
[M+CH3COO]- 235.10881 178.6
[M+Na-2H]- 197.06963 141.8
[M]+ 176.09441 137.1
[M]- 176.09551 137.1
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

No patent data available for this compound.