CID 101734182

B4chcaab

Structural Information

Molecular Formula
C34H46O4
SMILES
CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CCCC
InChI
InChI=1S/C34H46O4/c1-3-5-7-25-9-13-29(14-10-25)33(35)37-31-21-17-27(18-22-31)28-19-23-32(24-20-28)38-34(36)30-15-11-26(12-16-30)8-6-4-2/h17-26,29-30H,3-16H2,1-2H3
InChIKey
RRGHCISJTDTANB-UHFFFAOYSA-N
Compound name
[4-[4-(4-butylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-butylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.3396 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.34688 234.3
[M+Na]+ 541.32882 231.3
[M-H]- 517.33232 242.8
[M+NH4]+ 536.37342 238.4
[M+K]+ 557.30276 226.0
[M+H-H2O]+ 501.33686 221.5
[M+HCOO]- 563.33780 244.4
[M+CH3COO]- 577.35345 246.8
[M+Na-2H]- 539.31427 225.3
[M]+ 518.33905 230.0
[M]- 518.34015 230.0
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.