CID 3090070

79832-84-1

Structural Information

Molecular Formula
C34H50
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCCCC
InChI
InChI=1S/C34H50/c1-3-5-7-9-27-11-15-29(16-12-27)31-19-23-33(24-20-31)34-25-21-32(22-26-34)30-17-13-28(14-18-30)10-8-6-4-2/h19-30H,3-18H2,1-2H3
InChIKey
NBOMAZVNDYECTP-UHFFFAOYSA-N
Compound name
1-(4-pentylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

458.39127 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.39855 227.9
[M+Na]+ 481.38049 241.5
[M+NH4]+ 476.42509 237.2
[M+K]+ 497.35443 228.0
[M-H]- 457.38399 237.9
[M+Na-2H]- 479.36594 236.0
[M]+ 458.39072 233.0
[M]- 458.39182 233.0
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

patents stripe