PubChemLite - 1565-94-2 (C29H36O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(COC(=O)C(=C)C)O)O

InChI

InChI=1S/C29H36O8/c1-19(2)27(32)36-17-23(30)15-34-25-11-7-21(8-12-25)29(5,6)22-9-13-26(14-10-22)35-16-24(31)18-37-28(33)20(3)4/h7-14,23-24,30-31H,1,3,15-18H2,2,4-6H3

InChIKey

AMFGWXWBFGVCKG-UHFFFAOYSA-N

Compound name

[2-hydroxy-3-[4-[2-[4-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]propyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

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]+	513.24828	219.4
[M+Na]+	535.23022	225.5
[M+NH4]+	530.27482	219.9
[M+K]+	551.20416	224.1
[M-H]-	511.23372	217.0
[M+Na-2H]-	533.21567	220.1
[M]+	512.24045	219.0
[M]-	512.24155	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.24828

219.4

[M+Na]+

535.23022

225.5

[M+NH4]+

530.27482

219.9

[M+K]+

551.20416

224.1

[M-H]-

511.23372

217.0

[M+Na-2H]-

533.21567

220.1

[M]+

512.24045

219.0

[M]-

512.24155

219.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1565-94-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe