CID 4559411

4-amino-5-methyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C5H8N4O
SMILES
CC1=C(C(=NN1)C(=O)N)N
InChI
InChI=1S/C5H8N4O/c1-2-3(6)4(5(7)10)9-8-2/h6H2,1H3,(H2,7,10)(H,8,9)
InChIKey
DJMPBOHREJSJTB-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

140.06981 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.077086 127.6
[M+Na]+ 163.059028 136.3
[M-H]- 139.062534 127.3
[M+NH4]+ 158.103633 146.8
[M+K]+ 179.032968 134.1
[M+H-H2O]+ 123.067070 120.8
[M+HCOO]- 185.068011 150.3
[M+CH3COO]- 199.083661 175.1
[M+Na-2H]- 161.044476 131.0
[M]+ 140.06926142 123.2
[M]- 140.07035858 123.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe