CID 139597660

Ns00095280

Structural Information

Molecular Formula

C₂₇H₅₆O₉

SMILES

CCCCCCCCCCOCC(C)OCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C27H56O9/c1-3-4-5-6-7-8-9-10-12-35-26-27(2)36-25-24-34-23-22-33-21-20-32-19-18-31-17-16-30-15-14-29-13-11-28/h27-28H,3-26H2,1-2H3

InChIKey

WKIIOMYXMHNEFV-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-[2-[2-(1-decoxypropan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 524.39246 Da
Monoisotopic Mass: 3.3
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	242.2
[M+Na]+	547.381678	243.8
[M-H]-	523.385184	229.2
[M+NH4]+	542.426283	243.4
[M+K]+	563.355618	241.2
[M+H-H2O]+	507.389720	242.6
[M+HCOO]-	569.390661	250.4
[M+CH3COO]-	583.406311	244.1
[M+Na-2H]-	545.367126	225.6
[M]+	524.39191142	242.7
[M]-	524.39300858	242.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.