CID 477673

2-[3-(2-hydroxyethoxy)butoxy]ethanol

Structural Information

Molecular Formula

C₈H₁₈O₄

SMILES

CC(CCOCCO)OCCO

InChI

InChI=1S/C8H18O4/c1-8(12-7-4-10)2-5-11-6-3-9/h8-10H,2-7H2,1H3

InChIKey

LJNDZPQZUFXHQP-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethoxy)butoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 178.12051 Da
Monoisotopic Mass: -0.6
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	141.4
[M+Na]+	201.10973	146.6
[M-H]-	177.11323	138.4
[M+NH4]+	196.15433	160.1
[M+K]+	217.08367	146.3
[M+H-H2O]+	161.11777	136.3
[M+HCOO]-	223.11871	161.5
[M+CH3COO]-	237.13436	176.7
[M+Na-2H]-	199.09518	145.1
[M]+	178.11996	144.8
[M]-	178.12106	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe