CID 570432

1,3-dicyclohexyl propanedioate

Structural Information

Molecular Formula

C₁₅H₂₄O₄

SMILES

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

InChI

InChI=1S/C15H24O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h12-13H,1-11H2

InChIKey

XNLLIRWJZUWAAJ-UHFFFAOYSA-N

Compound name

dicyclohexyl propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 268.16745 Da
Monoisotopic Mass: 3.8
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]+	269.17473	165.1
[M+Na]+	291.15667	172.8
[M+NH4]+	286.20127	172.2
[M+K]+	307.13061	167.6
[M-H]-	267.16017	167.1
[M+Na-2H]-	289.14212	168.4
[M]+	268.16690	166.3
[M]-	268.16800	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe