CID 101734181

B3chcaab

Structural Information

Molecular Formula
C32H42O4
SMILES
CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCC
InChI
InChI=1S/C32H42O4/c1-3-5-23-7-11-27(12-8-23)31(33)35-29-19-15-25(16-20-29)26-17-21-30(22-18-26)36-32(34)28-13-9-24(6-4-2)10-14-28/h15-24,27-28H,3-14H2,1-2H3
InChIKey
ZMIQLMJVOXINOZ-UHFFFAOYSA-N
Compound name
[4-[4-(4-propylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.30832 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.31560 225.7
[M+Na]+ 513.29754 223.7
[M-H]- 489.30104 234.7
[M+NH4]+ 508.34214 231.1
[M+K]+ 529.27148 218.8
[M+H-H2O]+ 473.30558 213.4
[M+HCOO]- 535.30652 236.6
[M+CH3COO]- 549.32217 241.2
[M+Na-2H]- 511.28299 217.8
[M]+ 490.30777 220.9
[M]- 490.30887 220.9
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.