CID 77404

2-methylenepropane-1,3-diyl diacetate

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CC(=O)OCC(=C)COC(=O)C

InChI

InChI=1S/C8H12O4/c1-6(4-11-7(2)9)5-12-8(3)10/h1,4-5H2,2-3H3

InChIKey

FKAKGSJLTBVQOP-UHFFFAOYSA-N

Compound name

2-(acetyloxymethyl)prop-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1104
Patents: 172.07356 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]+	173.08084	137.3
[M+Na]+	195.06278	145.7
[M+NH4]+	190.10738	142.8
[M+K]+	211.03672	142.6
[M-H]-	171.06628	134.3
[M+Na-2H]-	193.04823	138.6
[M]+	172.07301	137.1
[M]-	172.07411	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe