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

48
Patents

140.06981 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 127.6
[M+Na]+ 163.05903 136.3
[M-H]- 139.06253 127.3
[M+NH4]+ 158.10363 146.8
[M+K]+ 179.03297 134.1
[M+H-H2O]+ 123.06707 120.8
[M+HCOO]- 185.06801 150.3
[M+CH3COO]- 199.08366 175.1
[M+Na-2H]- 161.04448 131.0
[M]+ 140.06926 123.2
[M]- 140.07036 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