CID 21888598

50586-59-9

Structural Information

Molecular Formula

C₁₂H₂₆O₆

SMILES

CCC(COCCO)(COCCO)COCCO

InChI

InChI=1S/C12H26O6/c1-2-12(9-16-6-3-13,10-17-7-4-14)11-18-8-5-15/h13-15H,2-11H2,1H3

InChIKey

GBDSXXVXXJCALK-UHFFFAOYSA-N

Compound name

2-[2,2-bis(2-hydroxyethoxymethyl)butoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 266.17294 Da
Monoisotopic Mass: -1.3
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	162.6
[M+Na]+	289.16216	168.1
[M+NH4]+	284.20676	166.2
[M+K]+	305.13610	165.2
[M-H]-	265.16566	157.6
[M+Na-2H]-	287.14761	161.6
[M]+	266.17239	161.4
[M]-	266.17349	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe