CID 18707494

60016-63-9

Structural Information

Molecular Formula
C3H5N5O
SMILES
C1(=NC(=NN1)N)C(=O)N
InChI
InChI=1S/C3H5N5O/c4-1(9)2-6-3(5)8-7-2/h(H2,4,9)(H3,5,6,7,8)
InChIKey
AFRNYWNYLIOMPT-UHFFFAOYSA-N
Compound name
3-amino-1H-1,2,4-triazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

127.04941 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.05669 122.6
[M+Na]+ 150.03863 131.2
[M-H]- 126.04213 120.8
[M+NH4]+ 145.08323 140.6
[M+K]+ 166.01257 129.4
[M+H-H2O]+ 110.04667 115.0
[M+HCOO]- 172.04761 144.7
[M+CH3COO]- 186.06326 170.8
[M+Na-2H]- 148.02408 127.8
[M]+ 127.04886 117.6
[M]- 127.04996 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