CID 6784

84-71-9

Structural Information

Molecular Formula

C₂₄H₄₄O₄

SMILES

CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3

InChIKey

DIMOQAGSNHTROK-UHFFFAOYSA-N

Compound name

bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 845
Patents: 396.32397 Da
Monoisotopic Mass: 7.8
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]+	397.33125	207.2
[M+Na]+	419.31319	205.6
[M-H]-	395.31669	207.3
[M+NH4]+	414.35779	217.9
[M+K]+	435.28713	203.7
[M+H-H2O]+	379.32123	199.2
[M+HCOO]-	441.32217	219.6
[M+CH3COO]-	455.33782	226.7
[M+Na-2H]-	417.29864	199.1
[M]+	396.32342	210.4
[M]-	396.32452	210.4

Literature stripe

literature stripe

Patent stripe

patents stripe