CID 66046

Bis(2-methoxyethyl) adipate

Structural Information

Molecular Formula

C₁₂H₂₂O₆

SMILES

COCCOC(=O)CCCCC(=O)OCCOC

InChI

InChI=1S/C12H22O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3-10H2,1-2H3

InChIKey

GVRNUDCCYWKHMV-UHFFFAOYSA-N

Compound name

bis(2-methoxyethyl) hexanedioate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 451
Patents: 262.14163 Da
Monoisotopic Mass: 0.3
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]+	263.14891	160.8
[M+Na]+	285.13085	167.7
[M+NH4]+	280.17545	164.9
[M+K]+	301.10479	164.0
[M-H]-	261.13435	157.0
[M+Na-2H]-	283.11630	160.6
[M]+	262.14108	160.1
[M]-	262.14218	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe