CID 14849282

1,4-cyclohexanedicarboxylic acid, 1,4-dibutyl ester

Structural Information

Molecular Formula
C16H28O4
SMILES
CCCCOC(=O)C1CCC(CC1)C(=O)OCCCC
InChI
InChI=1S/C16H28O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
QGUFKMSGOYILME-UHFFFAOYSA-N
Compound name
dibutyl cyclohexane-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

303
Patents

284.19876 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 170.3
[M+Na]+ 307.18798 178.0
[M+NH4]+ 302.23258 176.1
[M+K]+ 323.16192 172.6
[M-H]- 283.19148 169.9
[M+Na-2H]- 305.17343 171.6
[M]+ 284.19821 170.9
[M]- 284.19931 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe