CID 6419107

Ethyl 1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CCOC(=O)C1=NNN=C1
InChI
InChI=1S/C5H7N3O2/c1-2-10-5(9)4-3-6-8-7-4/h3H,2H2,1H3,(H,6,7,8)
InChIKey
BMGCDMZWMQQHMI-UHFFFAOYSA-N
Compound name
ethyl 2H-triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

475
Patents

141.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 128.0
[M+Na]+ 164.04305 138.1
[M+NH4]+ 159.08765 134.0
[M+K]+ 180.01699 136.1
[M-H]- 140.04655 125.9
[M+Na-2H]- 162.02850 132.4
[M]+ 141.05328 128.4
[M]- 141.05438 128.4
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