CID 71360945

35056-96-3

Structural Information

Molecular Formula

C₂₇H₅₆O₆

SMILES

CCCCCCCCCCCCCCCCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C27H56O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-29-20-22-31-24-26-33-27-25-32-23-21-30-19-17-28/h28H,2-27H2,1H3

InChIKey

IZOWNRUGDRFOQM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 476.40768 Da
Monoisotopic Mass: 7.2
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]+	477.414956	233.4
[M+Na]+	499.396898	236.1
[M-H]-	475.400404	216.9
[M+NH4]+	494.441503	230.8
[M+K]+	515.370838	233.2
[M+H-H2O]+	459.404940	232.8
[M+HCOO]-	521.405881	243.9
[M+CH3COO]-	535.421531	238.0
[M+Na-2H]-	497.382346	217.5
[M]+	476.40713142	233.5
[M]-	476.40822858	233.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.