CID 520413

2915-49-3

Structural Information

Molecular Formula

C₂₄H₄₂O₄

SMILES

CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC

InChI

InChI=1S/C24H42O4/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/h11-12,19-22H,5-10,13-18H2,1-4H3

InChIKey

SVVBLKNHJWTATO-UHFFFAOYSA-N

Compound name

bis(2-ethylhexyl) cyclohex-4-ene-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 107
Patents: 394.30832 Da
Monoisotopic Mass: 7.4
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]+	395.315596	205.9
[M+Na]+	417.297538	205.3
[M-H]-	393.301044	206.5
[M+NH4]+	412.342143	216.8
[M+K]+	433.271478	203.2
[M+H-H2O]+	377.305580	197.8
[M+HCOO]-	439.306521	219.8
[M+CH3COO]-	453.322171	226.3
[M+Na-2H]-	415.282986	198.7
[M]+	394.30777142	210.5
[M]-	394.30886858	210.5

Literature stripe

literature stripe

Patent stripe

patents stripe