CID 79254

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

Structural Information

Molecular Formula
C4H6N4O
SMILES
C1=NNC(=C1C(=O)N)N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)1-7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChIKey
LEFSNWUSTYESGC-UHFFFAOYSA-N
Compound name
5-amino-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

492
Patents

126.05416 Da
Monoisotopic Mass

-0.7
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

literature stripe

Patent stripe

patents stripe