CID 3625611

5698-39-5

Structural Information

Molecular Formula

C₃₂H₆₆O₉

SMILES

CCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C32H66O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-34-19-21-36-23-25-38-27-29-40-31-32-41-30-28-39-26-24-37-22-20-35-18-16-33/h33H,2-32H2,1H3

InChIKey

YAMTWWUZRPSEMV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 913
Patents: 594.4707 Da
Monoisotopic Mass: 6.2
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]+	595.477976	260.1
[M+Na]+	617.459918	260.3
[M-H]-	593.463424	243.7
[M+NH4]+	612.504523	259.6
[M+K]+	633.433858	259.2
[M+H-H2O]+	577.467960	259.4
[M+HCOO]-	639.468901	268.7
[M+CH3COO]-	653.484551	257.1
[M+Na-2H]-	615.445366	240.7
[M]+	594.47015142	260.3
[M]-	594.47124858	260.3

Literature stripe

literature stripe

Patent stripe

patents stripe