PubChemLite - 132900-75-5 (C35H36O10)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C35H36O10/c1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3

InChIKey

NLGINBDFXRCWQW-UHFFFAOYSA-N

Compound name

[3-methyl-4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxyphenyl] 4-(4-prop-2-enoyloxybutoxy)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]+	617.23811	245.3
[M+Na]+	639.22005	254.9
[M+NH4]+	634.26465	245.4
[M+K]+	655.19399	249.4
[M-H]-	615.22355	246.4
[M+Na-2H]-	637.20550	248.8
[M]+	616.23028	246.4
[M]-	616.23138	246.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.23811

245.3

[M+Na]+

639.22005

254.9

[M+NH4]+

634.26465

245.4

[M+K]+

655.19399

249.4

[M-H]-

615.22355

246.4

[M+Na-2H]-

637.20550

248.8

[M]+

616.23028

246.4

[M]-

616.23138

246.4

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

132900-75-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe