CID 50896559

1219743-26-6

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

64
Patents

126.05416 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.061436 122.7
[M+Na]+ 149.043378 130.9
[M-H]- 125.046884 122.1
[M+NH4]+ 144.087983 142.1
[M+K]+ 165.017318 129.0
[M+H-H2O]+ 109.051420 115.8
[M+HCOO]- 171.052361 145.8
[M+CH3COO]- 185.068011 170.8
[M+Na-2H]- 147.028826 127.4
[M]+ 126.05361142 117.5
[M]- 126.05470858 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