CID 15607534

C11-peg9-alcohol

Structural Information

Molecular Formula

C₂₇H₅₆O₉

SMILES

CCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C27H56O9/c1-2-3-4-5-6-7-8-9-10-12-29-14-16-31-18-20-33-22-24-35-26-27-36-25-23-34-21-19-32-17-15-30-13-11-28/h28H,2-27H2,1H3

InChIKey

WJWPVYGUYQUQPF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 524.39246 Da
Monoisotopic Mass: 3.5
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]+	525.399736	242.1
[M+Na]+	547.381678	243.2
[M-H]-	523.385184	227.5
[M+NH4]+	542.426283	241.7
[M+K]+	563.355618	240.0
[M+H-H2O]+	507.389720	241.9
[M+HCOO]-	569.390661	252.6
[M+CH3COO]-	583.406311	243.3
[M+Na-2H]-	545.367126	224.9
[M]+	524.39191142	242.4
[M]-	524.39300858	242.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe