CID 6454819

64194-22-5

Structural Information

Molecular Formula

C₁₂H₁₈O₄

SMILES

CC(CCOC(=O)C=C)CCOC(=O)C=C

InChI

InChI=1S/C12H18O4/c1-4-11(13)15-8-6-10(3)7-9-16-12(14)5-2/h4-5,10H,1-2,6-9H2,3H3

InChIKey

IQGIEMYBDGDBMR-UHFFFAOYSA-N

Compound name

(3-methyl-5-prop-2-enoyloxypentyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1884
Patents: 226.12051 Da
Monoisotopic Mass: 2.7
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]+	227.127786	152.7
[M+Na]+	249.109728	158.0
[M-H]-	225.113234	152.3
[M+NH4]+	244.154333	170.7
[M+K]+	265.083668	157.1
[M+H-H2O]+	209.117770	147.2
[M+HCOO]-	271.118711	173.4
[M+CH3COO]-	285.134361	190.8
[M+Na-2H]-	247.095176	153.1
[M]+	226.11996142	157.2
[M]-	226.12105858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe