CID 65125

1h-1,2,4-triazole-3-carboxamide

Structural Information

Molecular Formula
C3H4N4O
SMILES
C1=NNC(=N1)C(=O)N
InChI
InChI=1S/C3H4N4O/c4-2(8)3-5-1-6-7-3/h1H,(H2,4,8)(H,5,6,7)
InChIKey
ZEWJFUNFEABPGL-UHFFFAOYSA-N
Compound name
1H-1,2,4-triazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

2186
Patents

112.03851 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.045786 118.9
[M+Na]+ 135.027728 127.5
[M-H]- 111.031234 117.2
[M+NH4]+ 130.072333 137.9
[M+K]+ 151.001668 126.1
[M+H-H2O]+ 95.035770 111.4
[M+HCOO]- 157.036711 140.6
[M+CH3COO]- 171.052361 165.1
[M+Na-2H]- 133.013176 125.4
[M]+ 112.03796142 115.3
[M]- 112.03905858 115.3
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