PubChemLite - 174063-87-7 (C33H32O10)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCOC(=O)C=C)OC(=O)C3=CC=C(C=C3)OCCCOC(=O)C=C

InChI

InChI=1S/C33H32O10/c1-4-30(34)40-20-6-18-38-26-12-8-24(9-13-26)32(36)42-28-16-17-29(23(3)22-28)43-33(37)25-10-14-27(15-11-25)39-19-7-21-41-31(35)5-2/h4-5,8-17,22H,1-2,6-7,18-21H2,3H3

InChIKey

ISSYGWIDLYOJEN-UHFFFAOYSA-N

Compound name

[3-methyl-4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate

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]+	589.20678	239.4
[M+Na]+	611.18872	240.7
[M-H]-	587.19222	247.3
[M+NH4]+	606.23332	240.6
[M+K]+	627.16266	239.3
[M+H-H2O]+	571.19676	226.7
[M+HCOO]-	633.19770	256.9
[M+CH3COO]-	647.21335	255.8
[M+Na-2H]-	609.17417	233.8
[M]+	588.19895	250.4
[M]-	588.20005	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

589.20678

239.4

[M+Na]+

611.18872

240.7

[M-H]-

587.19222

247.3

[M+NH4]+

606.23332

240.6

[M+K]+

627.16266

239.3

[M+H-H2O]+

571.19676

226.7

[M+HCOO]-

633.19770

256.9

[M+CH3COO]-

647.21335

255.8

[M+Na-2H]-

609.17417

233.8

[M]+

588.19895

250.4

[M]-

588.20005

250.4

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

174063-87-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe