CID 14742544

2-(1h-imidazol-4-yl)acetamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=C(NC=N1)CC(=O)N
InChI
InChI=1S/C5H7N3O/c6-5(9)1-4-2-7-3-8-4/h2-3H,1H2,(H2,6,9)(H,7,8)
InChIKey
BRTQKGICBJYPER-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

125.058914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 123.7
[M+Na]+ 148.048132 131.4
[M-H]- 124.051638 123.0
[M+NH4]+ 143.092737 143.5
[M+K]+ 164.022072 129.6
[M+H-H2O]+ 108.056174 116.7
[M+HCOO]- 170.057115 146.0
[M+CH3COO]- 184.072765 168.2
[M+Na-2H]- 146.033580 129.2
[M]+ 125.05836542 120.2
[M]- 125.05946258 120.2
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