CID 233551

2-(2-oxopropyl)benzimidazole

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC(=O)CC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2O/c1-7(13)6-10-11-8-4-2-3-5-9(8)12-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey
ZECUELAGGOAWOP-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

174.07932 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.5
[M+Na]+ 197.06854 145.4
[M-H]- 173.07204 136.6
[M+NH4]+ 192.11314 155.4
[M+K]+ 213.04248 141.7
[M+H-H2O]+ 157.07658 128.7
[M+HCOO]- 219.07752 157.1
[M+CH3COO]- 233.09317 177.4
[M+Na-2H]- 195.05399 142.3
[M]+ 174.07877 136.4
[M]- 174.07987 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe