CID 263159

Allyl 3-butenoate

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C=CCC(=O)OCC=C

InChI

InChI=1S/C7H10O2/c1-3-5-7(8)9-6-4-2/h3-4H,1-2,5-6H2

InChIKey

AAKKKMOPCAFJCX-UHFFFAOYSA-N

Compound name

prop-2-enyl but-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 307
Patents: 126.06808 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]+	127.07536	127.0
[M+Na]+	149.05730	137.2
[M+NH4]+	144.10190	134.1
[M+K]+	165.03124	131.6
[M-H]-	125.06080	125.6
[M+Na-2H]-	147.04275	130.2
[M]+	126.06753	127.7
[M]-	126.06863	127.7

Literature stripe

literature stripe

Patent stripe

patents stripe