CID 57097530

Methyl 1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula

C₄H₄N₂O₃

SMILES

COC(=O)C1=NOC=N1

InChI

InChI=1S/C4H4N2O3/c1-8-4(7)3-5-2-9-6-3/h2H,1H3

InChIKey

IYVALCCOSBJXTB-UHFFFAOYSA-N

Compound name

methyl 1,2,4-oxadiazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 128.02219 Da
Monoisotopic Mass: 0.3
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]+	129.02947	121.5
[M+Na]+	151.01141	132.6
[M+NH4]+	146.05601	128.3
[M+K]+	166.98535	131.2
[M-H]-	127.01491	121.7
[M+Na-2H]-	148.99686	126.3
[M]+	128.02164	122.8
[M]-	128.02274	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe