CID 84650507

1450828-63-3

Structural Information

Molecular Formula

C₅H₇N₃O₃

SMILES

C1=NN(C=N1)CC(C(=O)O)O

InChI

InChI=1S/C5H7N3O3/c9-4(5(10)11)1-8-3-6-2-7-8/h2-4,9H,1H2,(H,10,11)

InChIKey

KJRGHGWETVMENC-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(1,2,4-triazol-1-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7
Patents: 157.04874 Da
Monoisotopic Mass: -1.1
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	131.1
[M+Na]+	180.03796	139.9
[M+NH4]+	175.08256	136.1
[M+K]+	196.01190	139.6
[M-H]-	156.04146	127.8
[M+Na-2H]-	178.02341	134.1
[M]+	157.04819	130.8
[M]-	157.04929	130.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.