CID 55281185

22354-03-6

Structural Information

Molecular Formula
C4H7N5O
SMILES
CNC(=O)C1=NNN=C1N
InChI
InChI=1S/C4H7N5O/c1-6-4(10)2-3(5)8-9-7-2/h1H3,(H,6,10)(H3,5,7,8,9)
InChIKey
QIRDRQWIQNKHII-UHFFFAOYSA-N
Compound name
5-amino-N-methyl-2H-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

141.06506 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 127.2
[M+Na]+ 164.05428 135.5
[M-H]- 140.05778 125.8
[M+NH4]+ 159.09888 145.0
[M+K]+ 180.02822 133.8
[M+H-H2O]+ 124.06232 119.4
[M+HCOO]- 186.06326 149.6
[M+CH3COO]- 200.07891 173.7
[M+Na-2H]- 162.03973 132.9
[M]+ 141.06451 123.5
[M]- 141.06561 123.5
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