CID 78046

Ethyl 5-methyl-1h-1,2,3-triazole-4-carboxylate

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CCOC(=O)C1=NNN=C1C
InChI
InChI=1S/C6H9N3O2/c1-3-11-6(10)5-4(2)7-9-8-5/h3H2,1-2H3,(H,7,8,9)
InChIKey
AVSQIANZTCVZNC-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-2H-triazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

155.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 131.4
[M+Na]+ 178.05869 140.5
[M-H]- 154.06219 130.0
[M+NH4]+ 173.10329 149.6
[M+K]+ 194.03263 139.3
[M+H-H2O]+ 138.06673 124.1
[M+HCOO]- 200.06767 151.8
[M+CH3COO]- 214.08332 172.5
[M+Na-2H]- 176.04414 136.2
[M]+ 155.06892 132.3
[M]- 155.07002 132.3
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