CID 28399535

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

Structural Information

Molecular Formula
C4H7N5O
SMILES
CNC(=O)C1=NC(=NN1)N
InChI
InChI=1S/C4H7N5O/c1-6-3(10)2-7-4(5)9-8-2/h1H3,(H,6,10)(H3,5,7,8,9)
InChIKey
AFLLHPQFSIEJFI-UHFFFAOYSA-N
Compound name
3-amino-N-methyl-1H-1,2,4-triazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.06506 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 126.7
[M+Na]+ 164.05428 134.9
[M+NH4]+ 159.09888 132.2
[M+K]+ 180.02822 134.1
[M-H]- 140.05778 125.4
[M+Na-2H]- 162.03973 130.5
[M]+ 141.06451 126.8
[M]- 141.06561 126.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe