CID 225431

4-amino-1h-1,2,3-triazole-5-carboxamide

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1(=NNN=C1N)C(=O)N
InChI
InChI=1S/C3H5N5O/c4-2-1(3(5)9)6-8-7-2/h(H2,5,9)(H3,4,6,7,8)
InChIKey
MNKBSXULTGYFFR-UHFFFAOYSA-N
Compound name
5-amino-2H-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

127.04941 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.056686 122.6
[M+Na]+ 150.038628 131.2
[M-H]- 126.042134 120.8
[M+NH4]+ 145.083233 140.6
[M+K]+ 166.012568 129.4
[M+H-H2O]+ 110.046670 115.0
[M+HCOO]- 172.047611 144.7
[M+CH3COO]- 186.063261 170.8
[M+Na-2H]- 148.024076 127.8
[M]+ 127.04886142 117.6
[M]- 127.04995858 117.6
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