CID 135973140

Ethyl 5-hydroxy-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula

C₅H₆N₂O₄

SMILES

CCOC(=O)C1=NOC(=O)N1

InChI

InChI=1S/C5H6N2O4/c1-2-10-4(8)3-6-5(9)11-7-3/h2H2,1H3,(H,6,7,9)

InChIKey

WAXXIDGUJFFVEJ-UHFFFAOYSA-N

Compound name

ethyl 5-oxo-4H-1,2,4-oxadiazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 158.03276 Da
Monoisotopic Mass: 0.4
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]+	159.04004	129.2
[M+Na]+	181.02198	139.4
[M+NH4]+	176.06658	134.5
[M+K]+	196.99592	138.7
[M-H]-	157.02548	128.0
[M+Na-2H]-	179.00743	132.2
[M]+	158.03221	129.8
[M]-	158.03331	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe