CID 82207945

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

Structural Information

Molecular Formula
C6H10N4O2
SMILES
CCOC(=O)C1=C(N(N=N1)C)N
InChI
InChI=1S/C6H10N4O2/c1-3-12-6(11)4-5(7)10(2)9-8-4/h3,7H2,1-2H3
InChIKey
DCNPOOIFKGWZGM-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-methyltriazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08037 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08765 134.7
[M+Na]+ 193.06959 144.4
[M-H]- 169.07309 134.7
[M+NH4]+ 188.11419 152.8
[M+K]+ 209.04353 143.6
[M+H-H2O]+ 153.07763 127.1
[M+HCOO]- 215.07857 157.2
[M+CH3COO]- 229.09422 180.5
[M+Na-2H]- 191.05504 138.8
[M]+ 170.07982 136.2
[M]- 170.08092 136.2
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

No patent data available for this compound.