CID 175667779

5chcaa3chcaap

Structural Information

Molecular Formula
C28H42O4
SMILES
CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCC
InChI
InChI=1S/C28H42O4/c1-3-5-6-8-22-11-15-24(16-12-22)28(30)32-26-19-17-25(18-20-26)31-27(29)23-13-9-21(7-4-2)10-14-23/h17-24H,3-16H2,1-2H3
InChIKey
PZOTXQRQYKRWKL-UHFFFAOYSA-N
Compound name
[4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.30832 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.31560 214.4
[M+Na]+ 465.29754 212.3
[M-H]- 441.30104 220.4
[M+NH4]+ 460.34214 222.4
[M+K]+ 481.27148 208.3
[M+H-H2O]+ 425.30558 203.8
[M+HCOO]- 487.30652 225.6
[M+CH3COO]- 501.32217 232.2
[M+Na-2H]- 463.28299 207.1
[M]+ 442.30777 210.9
[M]- 442.30887 210.9
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

No patent data available for this compound.