CID 70405

Dicyclohexyl succinate

Structural Information

Molecular Formula

C₁₆H₂₆O₄

SMILES

C1CCC(CC1)OC(=O)CCC(=O)OC2CCCCC2

InChI

InChI=1S/C16H26O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h13-14H,1-12H2

InChIKey

WWQSMJYMCWMODI-UHFFFAOYSA-N

Compound name

dicyclohexyl butanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 348
Patents: 282.1831 Da
Monoisotopic Mass: 3.5
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]+	283.190376	169.2
[M+Na]+	305.172318	168.6
[M-H]-	281.175824	173.0
[M+NH4]+	300.216923	183.7
[M+K]+	321.146258	167.5
[M+H-H2O]+	265.180360	161.3
[M+HCOO]-	327.181301	183.4
[M+CH3COO]-	341.196951	197.2
[M+Na-2H]-	303.157766	167.8
[M]+	282.18255142	163.3
[M]-	282.18364858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe