CID 175685129

2bchcaa3bch

Structural Information

Molecular Formula

C₃₀H₅₂O₂

SMILES

CCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3CCC(CC3)C4CCC(CC4)CC

InChI

InChI=1S/C30H52O2/c1-3-5-23-8-12-25(13-9-23)27-18-20-29(21-19-27)32-30(31)28-16-14-26(15-17-28)24-10-6-22(4-2)7-11-24/h22-29H,3-21H2,1-2H3

InChIKey

ICURGLJKOPICJQ-UHFFFAOYSA-N

Compound name

[4-(4-propylcyclohexyl)cyclohexyl] 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 444.39673 Da
Monoisotopic Mass: 11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	445.404006	219.5
[M+Na]+	467.385948	212.7
[M-H]-	443.389454	226.2
[M+NH4]+	462.430553	226.6
[M+K]+	483.359888	207.6
[M+H-H2O]+	427.393990	208.0
[M+HCOO]-	489.394931	222.8
[M+CH3COO]-	503.410581	234.1
[M+Na-2H]-	465.371396	207.4
[M]+	444.39618142	204.0
[M]-	444.39727858	204.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.