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: 17
Patents: 157.04874 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.05602	131.3
[M+Na]+	180.03796	140.7
[M+NH4]+	175.08256	136.3
[M+K]+	196.01190	139.8
[M-H]-	156.04146	128.2
[M+Na-2H]-	178.02341	134.3
[M]+	157.04819	131.2
[M]-	157.04929	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe