CID 14028978

2-(1h-pyrazol-1-yl)acetamide

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=CN(N=C1)CC(=O)N
InChI
InChI=1S/C5H7N3O/c6-5(9)4-8-3-1-2-7-8/h1-3H,4H2,(H2,6,9)
InChIKey
PTGHHGHHFPDNBR-UHFFFAOYSA-N
Compound name
2-pyrazol-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

125.058914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 123.0
[M+Na]+ 148.048132 131.1
[M-H]- 124.051638 123.7
[M+NH4]+ 143.092737 143.5
[M+K]+ 164.022072 130.3
[M+H-H2O]+ 108.056174 115.8
[M+HCOO]- 170.057115 146.8
[M+CH3COO]- 184.072765 170.8
[M+Na-2H]- 146.033580 129.0
[M]+ 125.05836542 121.4
[M]- 125.05946258 121.4
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