CID 348849

Dipropyl cyclohexane-1,2-dicarboxylate

Structural Information

Molecular Formula

C₁₄H₂₄O₄

SMILES

CCCOC(=O)C1CCCCC1C(=O)OCCC

InChI

InChI=1S/C14H24O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h11-12H,3-10H2,1-2H3

InChIKey

AGEFUZCBLJQXIA-UHFFFAOYSA-N

Compound name

dipropyl cyclohexane-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 256.16745 Da
Monoisotopic Mass: 3.3
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]+	257.17473	161.6
[M+Na]+	279.15667	169.7
[M+NH4]+	274.20127	167.7
[M+K]+	295.13061	164.8
[M-H]-	255.16017	161.3
[M+Na-2H]-	277.14212	163.4
[M]+	256.16690	162.2
[M]-	256.16800	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe