CID 2760947

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

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CCOC(=O)C1=NOC=N1

InChI

InChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-10-7-4/h3H,2H2,1H3

InChIKey

ZOQYOUPZOHBXRF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 142.03784 Da
Monoisotopic Mass: 0.7
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]+	143.045116	124.3
[M+Na]+	165.027058	133.4
[M-H]-	141.030564	126.2
[M+NH4]+	160.071663	143.5
[M+K]+	181.000998	134.9
[M+H-H2O]+	125.035100	117.6
[M+HCOO]-	187.036041	147.3
[M+CH3COO]-	201.051691	170.0
[M+Na-2H]-	163.012506	131.8
[M]+	142.03729142	128.0
[M]-	142.03838858	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe