CID 102646

1559-37-1

Structural Information

Molecular Formula

C₁₄H₃₀O₄

SMILES

CCCCC(CC)COCCOCCOCCO

InChI

InChI=1S/C14H30O4/c1-3-5-6-14(4-2)13-18-12-11-17-10-9-16-8-7-15/h14-15H,3-13H2,1-2H3

InChIKey

GSKKPNMVOYDARW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 559
Patents: 262.21442 Da
Monoisotopic Mass: 2.2
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]+	263.221696	168.3
[M+Na]+	285.203638	171.3
[M-H]-	261.207144	165.5
[M+NH4]+	280.248243	184.3
[M+K]+	301.177578	170.5
[M+H-H2O]+	245.211680	161.8
[M+HCOO]-	307.212621	187.8
[M+CH3COO]-	321.228271	197.2
[M+Na-2H]-	283.189086	169.3
[M]+	262.21387142	175.8
[M]-	262.21496858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe