CID 98534

2696-43-7

Structural Information

Molecular Formula

C₁₃H₂₄O₂

SMILES

CCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-11-15-13(14)12(2)3/h2,4-11H2,1,3H3

InChIKey

LKEDKQWWISEKSW-UHFFFAOYSA-N

Compound name

nonyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12645
Patents: 212.17763 Da
Monoisotopic Mass: 5.6
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]+	213.18491	155.0
[M+Na]+	235.16685	159.6
[M-H]-	211.17035	154.3
[M+NH4]+	230.21145	173.9
[M+K]+	251.14079	158.2
[M+H-H2O]+	195.17489	149.4
[M+HCOO]-	257.17583	175.4
[M+CH3COO]-	271.19148	191.5
[M+Na-2H]-	233.15230	155.9
[M]+	212.17708	159.1
[M]-	212.17818	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe