PubChemLite - Refchem:487134 (C38H76O11)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C38H76O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-40-21-23-42-25-27-44-29-31-46-33-35-48-37-38-49-36-34-47-32-30-45-28-26-43-24-22-41-20-18-39/h9-10,39H,2-8,11-38H2,1H3/b10-9-

InChIKey

QYOVMAREBTZLBT-KTKRTIGZSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(Z)-octadec-9-enoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

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]+	709.54604	285.5
[M+Na]+	731.52798	284.2
[M-H]-	707.53148	268.8
[M+NH4]+	726.57258	286.7
[M+K]+	747.50192	284.9
[M+H-H2O]+	691.53602	284.4
[M+HCOO]-	753.53696	292.4
[M+CH3COO]-	767.55261	275.1
[M+Na-2H]-	729.51343	263.1
[M]+	708.53821	286.3
[M]-	708.53931	286.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

709.54604

285.5

[M+Na]+

731.52798

284.2

[M-H]-

707.53148

268.8

[M+NH4]+

726.57258

286.7

[M+K]+

747.50192

284.9

[M+H-H2O]+

691.53602

284.4

[M+HCOO]-

753.53696

292.4

[M+CH3COO]-

767.55261

275.1

[M+Na-2H]-

729.51343

263.1

[M]+

708.53821

286.3

[M]-

708.53931

286.3

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

Refchem:487134

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe