CID 112760

61886-16-6

Structural Information

Molecular Formula

C₈H₁₈O₄

SMILES

C(CCOCCO)COCCO

InChI

InChI=1S/C8H18O4/c9-3-7-11-5-1-2-6-12-8-4-10/h9-10H,1-8H2

InChIKey

FLJXWORIHUVFMB-UHFFFAOYSA-N

Compound name

2-[4-(2-hydroxyethoxy)butoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 82
Patents: 178.12051 Da
Monoisotopic Mass: -0.7
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]+	179.12779	140.6
[M+Na]+	201.10973	146.0
[M-H]-	177.11323	137.5
[M+NH4]+	196.15433	159.3
[M+K]+	217.08367	145.2
[M+H-H2O]+	161.11777	135.4
[M+HCOO]-	223.11871	161.6
[M+CH3COO]-	237.13436	175.9
[M+Na-2H]-	199.09518	145.6
[M]+	178.11996	144.6
[M]-	178.12106	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe