CID 12554276

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

Structural Information

Molecular Formula
C5H7N3O3
SMILES
C1=C(N=NN1CCO)C(=O)O
InChI
InChI=1S/C5H7N3O3/c9-2-1-8-3-4(5(10)11)6-7-8/h3,9H,1-2H2,(H,10,11)
InChIKey
BNFYIPJNVQYQDM-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

157.04874 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.05602 130.0
[M+Na]+ 180.03796 138.9
[M-H]- 156.04146 127.4
[M+NH4]+ 175.08256 147.2
[M+K]+ 196.01190 137.5
[M+H-H2O]+ 140.04600 122.8
[M+HCOO]- 202.04694 149.4
[M+CH3COO]- 216.06259 169.7
[M+Na-2H]- 178.02341 134.8
[M]+ 157.04819 130.2
[M]- 157.04929 130.2
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

patents stripe