CID 109017

60792-56-5

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)N
InChI
InChI=1S/C9H9N3O/c10-8(13)5-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKey
STRDCKXOEFPOCT-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

551
Patents

175.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.6
[M+Na]+ 198.063768 144.1
[M-H]- 174.067274 135.4
[M+NH4]+ 193.108373 153.9
[M+K]+ 214.037708 140.2
[M+H-H2O]+ 158.071810 127.7
[M+HCOO]- 220.072751 157.1
[M+CH3COO]- 234.088401 178.6
[M+Na-2H]- 196.049216 141.6
[M]+ 175.07400142 133.5
[M]- 175.07509858 133.5
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