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: 3135
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	152.9
[M+Na]+	257.09956	157.5
[M-H]-	233.10306	149.6
[M+NH4]+	252.14416	169.1
[M+K]+	273.07350	157.2
[M+H-H2O]+	217.10760	147.2
[M+HCOO]-	279.10854	172.2
[M+CH3COO]-	293.12419	184.7
[M+Na-2H]-	255.08501	154.5
[M]+	234.10979	157.7
[M]-	234.11089	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe