CID 33788212

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

Structural Information

Molecular Formula
C6H9N3O3
SMILES
COCCN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C6H9N3O3/c1-12-3-2-9-4-5(6(10)11)7-8-9/h4H,2-3H2,1H3,(H,10,11)
InChIKey
ROSNWRPXSJVOIW-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

171.06439 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 133.6
[M+Na]+ 194.05361 142.5
[M-H]- 170.05711 132.2
[M+NH4]+ 189.09821 151.0
[M+K]+ 210.02755 141.8
[M+H-H2O]+ 154.06165 126.0
[M+HCOO]- 216.06259 154.2
[M+CH3COO]- 230.07824 175.2
[M+Na-2H]- 192.03906 138.4
[M]+ 171.06384 136.0
[M]- 171.06494 136.0
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

patents stripe