PubChemLite - Tween 60s (C35H68O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCOC)OCCOC)OCCOC

InChI

InChI=1S/C35H68O10/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33(36)43-28-24-40-29-31(41-25-21-37-2)35-34(44-27-23-39-4)32(30-45-35)42-26-22-38-3/h31-32,34-35H,5-30H2,1-4H3

InChIKey

OIMZBBUYJOODMX-UHFFFAOYSA-N

Compound name

2-[2-[3,4-bis(2-methoxyethoxy)oxolan-2-yl]-2-(2-methoxyethoxy)ethoxy]ethyl octadecanoate

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]+	649.48854	268.3
[M+Na]+	671.47048	275.0
[M-H]-	647.47398	259.2
[M+NH4]+	666.51508	276.4
[M+K]+	687.44442	272.6
[M+H-H2O]+	631.47852	273.4
[M+HCOO]-	693.47946	282.3
[M+CH3COO]-	707.49511	269.1
[M+Na-2H]-	669.45593	250.9
[M]+	648.48071	271.7
[M]-	648.48181	271.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

649.48854

268.3

[M+Na]+

671.47048

275.0

[M-H]-

647.47398

259.2

[M+NH4]+

666.51508

276.4

[M+K]+

687.44442

272.6

[M+H-H2O]+

631.47852

273.4

[M+HCOO]-

693.47946

282.3

[M+CH3COO]-

707.49511

269.1

[M+Na-2H]-

669.45593

250.9

[M]+

648.48071

271.7

[M]-

648.48181

271.7

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

Tween 60s

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe