CID 21960809

65833-30-9

Structural Information

Molecular Formula

C₁₇H₂₈O₄

SMILES

CC(=C)C(=O)OCCCCCCCCCOC(=O)C(=C)C

InChI

InChI=1S/C17H28O4/c1-14(2)16(18)20-12-10-8-6-5-7-9-11-13-21-17(19)15(3)4/h1,3,5-13H2,2,4H3

InChIKey

YJVIKVWFGPLAFS-UHFFFAOYSA-N

Compound name

9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5560
Patents: 296.19876 Da
Monoisotopic Mass: 5.0
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]+	297.20604	175.0
[M+Na]+	319.18798	181.3
[M+NH4]+	314.23258	178.6
[M+K]+	335.16192	176.8
[M-H]-	295.19148	171.2
[M+Na-2H]-	317.17343	173.6
[M]+	296.19821	174.2
[M]-	296.19931	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe