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: 69
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]+	129.029466	119.6
[M+Na]+	151.011408	129.1
[M-H]-	127.014914	121.6
[M+NH4]+	146.056013	139.4
[M+K]+	166.985348	130.9
[M+H-H2O]+	111.019450	113.0
[M+HCOO]-	173.020391	142.9
[M+CH3COO]-	187.036041	167.0
[M+Na-2H]-	148.996856	127.7
[M]+	128.02164142	122.9
[M]-	128.02273858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe