PubChemLite - 3,6,9,12,15,18,21,24,27,30-decaoxahexatetracontan-1-ol (C36H74O11)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C36H74O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-38-19-21-40-23-25-42-27-29-44-31-33-46-35-36-47-34-32-45-30-28-43-26-24-41-22-20-39-18-16-37/h37H,2-36H2,1H3

InChIKey

ZWINLZAYDMUOAE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)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]+	683.53041	281.1
[M+Na]+	705.51235	279.5
[M-H]-	681.51585	264.3
[M+NH4]+	700.55695	282.0
[M+K]+	721.48629	279.8
[M+H-H2O]+	665.52039	280.1
[M+HCOO]-	727.52133	287.9
[M+CH3COO]-	741.53698	270.9
[M+Na-2H]-	703.49780	259.0
[M]+	682.52258	281.9
[M]-	682.52368	281.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

683.53041

281.1

[M+Na]+

705.51235

279.5

[M-H]-

681.51585

264.3

[M+NH4]+

700.55695

282.0

[M+K]+

721.48629

279.8

[M+H-H2O]+

665.52039

280.1

[M+HCOO]-

727.52133

287.9

[M+CH3COO]-

741.53698

270.9

[M+Na-2H]-

703.49780

259.0

[M]+

682.52258

281.9

[M]-

682.52368

281.9

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

3,6,9,12,15,18,21,24,27,30-decaoxahexatetracontan-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe