CID 242452

100365-72-8

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=NN(C=C1)C(=O)N
InChI
InChI=1S/C5H7N3O/c1-4-2-3-8(7-4)5(6)9/h2-3H,1H3,(H2,6,9)
InChIKey
PNZZQMXKKNDHNS-UHFFFAOYSA-N
Compound name
3-methylpyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

190
Patents

125.058914 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 123.1
[M+Na]+ 148.048132 132.3
[M-H]- 124.051638 124.3
[M+NH4]+ 143.092737 144.1
[M+K]+ 164.022072 131.5
[M+H-H2O]+ 108.056174 116.4
[M+HCOO]- 170.057115 147.0
[M+CH3COO]- 184.072765 171.2
[M+Na-2H]- 146.033580 128.4
[M]+ 125.05836542 121.9
[M]- 125.05946258 121.9
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