CID 168092

N-decylpentaoxyethylene

Structural Information

Molecular Formula

C₂₀H₄₂O₆

SMILES

CCCCCCCCCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3

InChIKey

QAXPOSPGRHYIHE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1042
Patents: 378.29813 Da
Monoisotopic Mass: 3.4
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]+	379.30541	197.7
[M+Na]+	401.28735	198.1
[M-H]-	377.29085	193.6
[M+NH4]+	396.33195	204.9
[M+K]+	417.26129	196.5
[M+H-H2O]+	361.29539	189.5
[M+HCOO]-	423.29633	220.6
[M+CH3COO]-	437.31198	217.9
[M+Na-2H]-	399.27280	197.2
[M]+	378.29758	211.1
[M]-	378.29868	211.1

Literature stripe

literature stripe

Patent stripe

patents stripe