CID 13388323

53897-99-7

Structural Information

Molecular Formula
C3H4N4O
SMILES
C1=NNN=C1C(=O)N
InChI
InChI=1S/C3H4N4O/c4-3(8)2-1-5-7-6-2/h1H,(H2,4,8)(H,5,6,7)
InChIKey
OSKSVLBJJXQUPI-UHFFFAOYSA-N
Compound name
2H-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

1742
Patents

112.03851 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04579 119.0
[M+Na]+ 135.02773 128.4
[M+NH4]+ 130.07233 125.3
[M+K]+ 151.00167 127.1
[M-H]- 111.03123 117.5
[M+Na-2H]- 133.01318 123.7
[M]+ 112.03796 119.3
[M]- 112.03906 119.3
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