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: 241
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]+	131.07027	126.0
[M+Na]+	153.05221	138.2
[M+NH4]+	148.09681	134.3
[M+K]+	169.02615	135.6
[M-H]-	129.05571	134.3
[M+Na-2H]-	151.03766	132.5
[M]+	130.06244	131.0
[M]-	130.06354	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe