CID 76458

Triethylene glycol monododecyl ether

Structural Information

Molecular Formula

C₁₈H₃₈O₄

SMILES

CCCCCCCCCCCCOCCOCCOCCO

InChI

InChI=1S/C18H38O4/c1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-22-18-16-21-14-12-19/h19H,2-18H2,1H3

InChIKey

FKMHSNTVILORFA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 8123
Patents: 318.277 Da
Monoisotopic Mass: 4.8
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]+	319.28428	185.0
[M+Na]+	341.26622	186.6
[M-H]-	317.26972	181.4
[M+NH4]+	336.31082	198.8
[M+K]+	357.24016	184.3
[M+H-H2O]+	301.27426	177.7
[M+HCOO]-	363.27520	204.2
[M+CH3COO]-	377.29085	208.3
[M+Na-2H]-	339.25167	185.3
[M]+	318.27645	194.8
[M]-	318.27755	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe