PubChemLite - 118800-30-9 (C30H50O12)

Structural Information

Molecular Formula

SMILES

CCC(COCCOCC(C)OC(=O)C=C)(COCCOC(C)COC(=O)C=C)COCCOC(C)COC(=O)C=C

InChI

InChI=1S/C30H50O12/c1-8-27(31)40-19-24(5)38-16-14-36-22-30(11-4,21-35-13-12-34-18-26(7)42-29(33)10-3)23-37-15-17-39-25(6)20-41-28(32)9-2/h8-10,24-26H,1-3,11-23H2,4-7H3

InChIKey

MQTGBHMQHUTGPB-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(1-prop-2-enoyloxypropan-2-yloxy)ethoxymethyl]-2-[2-(2-prop-2-enoyloxypropoxy)ethoxymethyl]butoxy]ethoxy]propyl prop-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]+	603.33748	247.9
[M+Na]+	625.31942	254.2
[M-H]-	601.32292	250.8
[M+NH4]+	620.36402	265.0
[M+K]+	641.29336	254.0
[M+H-H2O]+	585.32746	251.0
[M+HCOO]-	647.32840	250.1
[M+CH3COO]-	661.34405	258.6
[M+Na-2H]-	623.30487	236.1
[M]+	602.32965	253.2
[M]-	602.33075	253.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

603.33748

247.9

[M+Na]+

625.31942

254.2

[M-H]-

601.32292

250.8

[M+NH4]+

620.36402

265.0

[M+K]+

641.29336

254.0

[M+H-H2O]+

585.32746

251.0

[M+HCOO]-

647.32840

250.1

[M+CH3COO]-

661.34405

258.6

[M+Na-2H]-

623.30487

236.1

[M]+

602.32965

253.2

[M]-

602.33075

253.2

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

118800-30-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe