CID 50896830

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

140.06981 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07709 126.9
[M+Na]+ 163.05903 136.0
[M-H]- 139.06253 127.9
[M+NH4]+ 158.10363 146.9
[M+K]+ 179.03297 134.7
[M+H-H2O]+ 123.06707 119.9
[M+HCOO]- 185.06801 151.1
[M+CH3COO]- 199.08366 177.5
[M+Na-2H]- 161.04448 130.9
[M]+ 140.06926 124.4
[M]- 140.07036 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

No literature data available for this compound.

Patent stripe

patents stripe