PubChemLite - Nonoxynol-9 (C33H60O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3

InChIKey

FBWNMEQMRUMQSO-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)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]+	617.42592	259.4
[M+Na]+	639.40786	257.4
[M+NH4]+	634.45246	259.2
[M+K]+	655.38180	257.8
[M-H]-	615.41136	243.5
[M+Na-2H]-	637.39331	257.6
[M]+	616.41809	255.0
[M]-	616.41919	255.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.42592

259.4

[M+Na]+

639.40786

257.4

[M+NH4]+

634.45246

259.2

[M+K]+

655.38180

257.8

[M-H]-

615.41136

243.5

[M+Na-2H]-

637.39331

257.6

[M]+

616.41809

255.0

[M]-

616.41919

255.0

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

Nonoxynol-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe