CID 29774

Ethyl 2,3-epoxybutyrate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CCOC(=O)C1C(O1)C

InChI

InChI=1S/C6H10O3/c1-3-8-6(7)5-4(2)9-5/h4-5H,3H2,1-2H3

InChIKey

VYXHEFOZRVPJRK-UHFFFAOYSA-N

Compound name

ethyl 3-methyloxirane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 298
Patents: 130.06299 Da
Monoisotopic Mass: 0.6
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]+	131.070266	125.9
[M+Na]+	153.052208	136.2
[M-H]-	129.055714	131.9
[M+NH4]+	148.096813	142.3
[M+K]+	169.026148	136.6
[M+H-H2O]+	113.060250	120.3
[M+HCOO]-	175.061191	148.9
[M+CH3COO]-	189.076841	175.6
[M+Na-2H]-	151.037656	132.7
[M]+	130.06244142	132.3
[M]-	130.06353858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe