CID 10069110

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

Structural Information

Molecular Formula

C₂₁H₄₄O₆

SMILES

CCCCCCCCCCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C21H44O6/c1-2-3-4-5-6-7-8-9-10-12-23-14-16-25-18-20-27-21-19-26-17-15-24-13-11-22/h22H,2-21H2,1H3

InChIKey

CKWBDGZSZXLHRJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 392.31378 Da
Monoisotopic Mass: 4.0
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]+	393.321056	202.0
[M+Na]+	415.302998	202.0
[M-H]-	391.306504	197.7
[M+NH4]+	410.347603	208.7
[M+K]+	431.276938	200.1
[M+H-H2O]+	375.311040	193.6
[M+HCOO]-	437.311981	224.0
[M+CH3COO]-	451.327631	220.8
[M+Na-2H]-	413.288446	201.1
[M]+	392.31323142	215.8
[M]-	392.31432858	215.8

Literature stripe

literature stripe

Patent stripe

patents stripe