CID 50896559

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

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=C(NN=C1N)C(=O)N
InChI
InChI=1S/C4H6N4O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChIKey
RMTDSXQVNSXONV-UHFFFAOYSA-N
Compound name
3-amino-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

126.05416 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06144 122.7
[M+Na]+ 149.04338 130.9
[M-H]- 125.04688 122.1
[M+NH4]+ 144.08798 142.1
[M+K]+ 165.01732 129.0
[M+H-H2O]+ 109.05142 115.8
[M+HCOO]- 171.05236 145.8
[M+CH3COO]- 185.06801 170.8
[M+Na-2H]- 147.02883 127.4
[M]+ 126.05361 117.5
[M]- 126.05471 117.5
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