CID 78058

3,6,9,12,15-pentaoxaheptadecan-1-ol

Structural Information

Molecular Formula

C₁₂H₂₆O₆

SMILES

CCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3

InChIKey

NJRFAMBTWHGSDE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 249
Patents: 266.17294 Da
Monoisotopic Mass: -1.0
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]+	267.18022	162.4
[M+Na]+	289.16216	166.2
[M-H]-	265.16566	159.8
[M+NH4]+	284.20676	178.1
[M+K]+	305.13610	166.5
[M+H-H2O]+	249.17020	155.7
[M+HCOO]-	311.17114	184.0
[M+CH3COO]-	325.18679	194.5
[M+Na-2H]-	287.14761	166.0
[M]+	266.17239	172.8
[M]-	266.17349	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe