CID 167972

N-(1h-1,3-benzodiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC(=O)NC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C9H9N3O/c1-6(13)10-9-11-7-4-2-3-5-8(7)12-9/h2-5H,1H3,(H2,10,11,12,13)
InChIKey
BECUBVOEPSAYDH-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

182
Patents

175.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 134.5
[M+Na]+ 198.06377 144.1
[M-H]- 174.06727 135.8
[M+NH4]+ 193.10837 154.1
[M+K]+ 214.03771 140.5
[M+H-H2O]+ 158.07181 127.5
[M+HCOO]- 220.07275 157.6
[M+CH3COO]- 234.08840 178.6
[M+Na-2H]- 196.04922 142.5
[M]+ 175.07400 134.3
[M]- 175.07510 134.3
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