CID 98568

63666-11-5

Structural Information

Molecular Formula
C5H8N4O2
SMILES
CCOC(=O)C1=NC(=NN1)N
InChI
InChI=1S/C5H8N4O2/c1-2-11-4(10)3-7-5(6)9-8-3/h2H2,1H3,(H3,6,7,8,9)
InChIKey
MLVNUTAJXZZPCJ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

156.06473 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 130.9
[M+Na]+ 179.05395 139.5
[M-H]- 155.05745 129.3
[M+NH4]+ 174.09855 148.4
[M+K]+ 195.02789 138.1
[M+H-H2O]+ 139.06199 123.3
[M+HCOO]- 201.06293 152.1
[M+CH3COO]- 215.07858 173.8
[M+Na-2H]- 177.03940 135.6
[M]+ 156.06418 129.7
[M]- 156.06528 129.7
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