CID 86260976

3,6,9,12,15,18,21-heptaoxatriacontan-1-ol

Structural Information

Molecular Formula

C₂₃H₄₈O₈

SMILES

CCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C23H48O8/c1-2-3-4-5-6-7-8-10-25-12-14-27-16-18-29-20-22-31-23-21-30-19-17-28-15-13-26-11-9-24/h24H,2-23H2,1H3

InChIKey

VWMYPSGQOIOJFP-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 452.33493 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

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]+	453.342206	224.1
[M+Na]+	475.324148	226.5
[M-H]-	451.327654	210.5
[M+NH4]+	470.368753	223.2
[M+K]+	491.298088	221.8
[M+H-H2O]+	435.332190	224.4
[M+HCOO]-	497.333131	236.3
[M+CH3COO]-	511.348781	230.3
[M+Na-2H]-	473.309596	209.3
[M]+	452.33438142	224.6
[M]-	452.33547858	224.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe