CID 12160911

1-(2-ethoxy-2-oxoethyl)-1h-1,2,3-triazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CCOC(=O)CN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C7H9N3O4/c1-2-14-6(11)4-10-3-5(7(12)13)8-9-10/h3H,2,4H2,1H3,(H,12,13)
InChIKey
RNYAMVYVWUVUFO-UHFFFAOYSA-N
Compound name
1-(2-ethoxy-2-oxoethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

199.05931 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 139.7
[M+Na]+ 222.04853 148.2
[M-H]- 198.05203 138.5
[M+NH4]+ 217.09313 155.9
[M+K]+ 238.02247 147.7
[M+H-H2O]+ 182.05657 132.1
[M+HCOO]- 244.05751 159.5
[M+CH3COO]- 258.07316 179.7
[M+Na-2H]- 220.03398 143.0
[M]+ 199.05876 142.6
[M]- 199.05986 142.6
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