CID 6777

Dicyclohexyl phthalate

Structural Information

Molecular Formula
C20H26O4
SMILES
C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
InChI
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2
InChIKey
VOWAEIGWURALJQ-UHFFFAOYSA-N
Compound name
dicyclohexyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

90
References

24384
Patents

330.1831 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19038 179.6
[M+Na]+ 353.17232 179.3
[M-H]- 329.17582 186.6
[M+NH4]+ 348.21692 191.7
[M+K]+ 369.14626 176.9
[M+H-H2O]+ 313.18036 170.2
[M+HCOO]- 375.18130 193.7
[M+CH3COO]- 389.19695 206.3
[M+Na-2H]- 351.15777 177.8
[M]+ 330.18255 172.7
[M]- 330.18365 172.7
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

No patent data available for this compound.