CID 14899

Isodecyl acrylate

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CC(C)CCCCCCCOC(=O)C=C

InChI

InChI=1S/C13H24O2/c1-4-13(14)15-11-9-7-5-6-8-10-12(2)3/h4,12H,1,5-11H2,2-3H3

InChIKey

LVGFPWDANALGOY-UHFFFAOYSA-N

Compound name

8-methylnonyl prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 30632
Patents: 212.17763 Da
Monoisotopic Mass: 5.3
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]+	213.18491	154.2
[M+Na]+	235.16685	162.9
[M+NH4]+	230.21145	160.5
[M+K]+	251.14079	156.7
[M-H]-	211.17035	152.6
[M+Na-2H]-	233.15230	155.6
[M]+	212.17708	154.7
[M]-	212.17818	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe