PubChemLite - 56744-60-6 (C31H40O8)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCOCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOCCOC(=O)C(=C)C

InChI

InChI=1S/C31H40O8/c1-23(2)29(32)38-21-17-34-15-19-36-27-11-7-25(8-12-27)31(5,6)26-9-13-28(14-10-26)37-20-16-35-18-22-39-30(33)24(3)4/h7-14H,1,3,15-22H2,2,4-6H3

InChIKey

NREFJJBCYMZUEK-UHFFFAOYSA-N

Compound name

2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl 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]+	541.27962	229.5
[M+Na]+	563.26156	237.0
[M+NH4]+	558.30616	230.7
[M+K]+	579.23550	232.8
[M-H]-	539.26506	228.5
[M+Na-2H]-	561.24701	231.5
[M]+	540.27179	229.9
[M]-	540.27289	229.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.27962

229.5

[M+Na]+

563.26156

237.0

[M+NH4]+

558.30616

230.7

[M+K]+

579.23550

232.8

[M-H]-

539.26506

228.5

[M+Na-2H]-

561.24701

231.5

[M]+

540.27179

229.9

[M]-

540.27289

229.9

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

56744-60-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe