CID 101734180

B2chcaab

Structural Information

Molecular Formula
C30H38O4
SMILES
CCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C4CCC(CC4)CC
InChI
InChI=1S/C30H38O4/c1-3-21-5-9-25(10-6-21)29(31)33-27-17-13-23(14-18-27)24-15-19-28(20-16-24)34-30(32)26-11-7-22(4-2)8-12-26/h13-22,25-26H,3-12H2,1-2H3
InChIKey
HFQMPYLKRGTIQT-UHFFFAOYSA-N
Compound name
[4-[4-(4-ethylcyclohexanecarbonyl)oxyphenyl]phenyl] 4-ethylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.277 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28428 217.1
[M+Na]+ 485.26622 216.1
[M-H]- 461.26972 226.6
[M+NH4]+ 480.31082 223.7
[M+K]+ 501.24016 211.5
[M+H-H2O]+ 445.27426 205.2
[M+HCOO]- 507.27520 228.7
[M+CH3COO]- 521.29085 235.5
[M+Na-2H]- 483.25167 210.3
[M]+ 462.27645 211.7
[M]- 462.27755 211.7
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.