CID 74340

Bis(2-hydroxyethyl) adipate

Structural Information

Molecular Formula

C₁₀H₁₈O₆

SMILES

C(CCC(=O)OCCO)CC(=O)OCCO

InChI

InChI=1S/C10H18O6/c11-5-7-15-9(13)3-1-2-4-10(14)16-8-6-12/h11-12H,1-8H2

InChIKey

RCZKTFHQZNLYAR-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl) hexanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1724
Patents: 234.11034 Da
Monoisotopic Mass: -0.8
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]+	235.11762	153.3
[M+Na]+	257.09956	159.5
[M+NH4]+	252.14416	156.9
[M+K]+	273.07350	156.9
[M-H]-	233.10306	148.5
[M+Na-2H]-	255.08501	152.3
[M]+	234.10979	152.1
[M]-	234.11089	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe