CID 6485351

4-amino-1-methyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C5H8N4O
SMILES
CN1C=C(C(=N1)C(=O)N)N
InChI
InChI=1S/C5H8N4O/c1-9-2-3(6)4(8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChIKey
PKAKWMDYLMOHOG-UHFFFAOYSA-N
Compound name
4-amino-1-methylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

140.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.077086 126.9
[M+Na]+ 163.059028 136.0
[M-H]- 139.062534 127.9
[M+NH4]+ 158.103633 146.9
[M+K]+ 179.032968 134.7
[M+H-H2O]+ 123.067070 119.9
[M+HCOO]- 185.068011 151.1
[M+CH3COO]- 199.083661 177.5
[M+Na-2H]- 161.044476 130.9
[M]+ 140.06926142 124.4
[M]- 140.07035858 124.4
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