PubChemLite - 2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate (C32H60O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO

InChI

InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-26-28(38-21-18-33)32-31(41-23-20-35)29(27-42-32)39-22-19-34/h9-10,28-29,31-35H,2-8,11-27H2,1H3

InChIKey

HDTIFOGXOGLRCB-UHFFFAOYSA-N

Compound name

2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-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]+	605.42592	252.4
[M+Na]+	627.40786	257.1
[M-H]-	603.41136	243.9
[M+NH4]+	622.45246	253.9
[M+K]+	643.38180	253.3
[M+H-H2O]+	587.41590	254.2
[M+HCOO]-	649.41684	263.3
[M+CH3COO]-	663.43249	253.6
[M+Na-2H]-	625.39331	234.4
[M]+	604.41809	251.5
[M]-	604.41919	251.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.42592

252.4

[M+Na]+

627.40786

257.1

[M-H]-

603.41136

243.9

[M+NH4]+

622.45246

253.9

[M+K]+

643.38180

253.3

[M+H-H2O]+

587.41590

254.2

[M+HCOO]-

649.41684

263.3

[M+CH3COO]-

663.43249

253.6

[M+Na-2H]-

625.39331

234.4

[M]+

604.41809

251.5

[M]-

604.41919

251.5

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

2-[2-[3,4-bis(2-hydroxyethoxy)oxolan-2-yl]-2-(2-hydroxyethoxy)ethoxy]ethyl octadec-9-enoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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