CID 70701

Allyl acetoacetate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

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

InChI

InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3

InChIKey

AXLMPTNTPOWPLT-UHFFFAOYSA-N

Compound name

prop-2-enyl 3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 10575
Patents: 142.06299 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]+	143.07027	130.0
[M+Na]+	165.05221	139.4
[M+NH4]+	160.09681	136.5
[M+K]+	181.02615	135.2
[M-H]-	141.05571	127.9
[M+Na-2H]-	163.03766	132.4
[M]+	142.06244	130.3
[M]-	142.06354	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe