CID 4066088

Ethyl 2,3-butadienoate

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

CCOC(=O)C=C=C

InChI

InChI=1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3

InChIKey

GLSUOACRAMLJIW-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 131
Patents: 112.05243 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]+	113.05971	122.7
[M+Na]+	135.04165	133.2
[M+NH4]+	130.08625	130.1
[M+K]+	151.01559	127.8
[M-H]-	111.04515	121.4
[M+Na-2H]-	133.02710	126.2
[M]+	112.05188	123.5
[M]-	112.05298	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe