CID 14998366

3-ethyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester

Structural Information

Molecular Formula

C₇H₁₀N₂O₃

SMILES

CCC1=NOC(=N1)C(=O)OCC

InChI

InChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3

InChIKey

BHPIMJOELWDAGZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 170.06914 Da
Monoisotopic Mass: 1.5
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]+	171.07642	133.4
[M+Na]+	193.05836	142.6
[M-H]-	169.06186	135.3
[M+NH4]+	188.10296	151.8
[M+K]+	209.03230	143.5
[M+H-H2O]+	153.06640	126.6
[M+HCOO]-	215.06734	155.7
[M+CH3COO]-	229.08299	177.2
[M+Na-2H]-	191.04381	139.2
[M]+	170.06859	138.2
[M]-	170.06969	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe