CID 30088

(1,1'-bicyclohexyl)-4-ylbenzene

Structural Information

Molecular Formula
C18H26
SMILES
C1CCC(CC1)C2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-18H,2,5-6,9-14H2
InChIKey
MRGBGAHKAGKZID-UHFFFAOYSA-N
Compound name
(4-cyclohexylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

242.20345 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.210726 160.0
[M+Na]+ 265.192668 160.8
[M-H]- 241.196174 167.2
[M+NH4]+ 260.237273 176.2
[M+K]+ 281.166608 156.5
[M+H-H2O]+ 225.200710 151.2
[M+HCOO]- 287.201651 175.6
[M+CH3COO]- 301.217301 169.4
[M+Na-2H]- 263.178116 161.3
[M]+ 242.20290142 149.3
[M]- 242.20399858 149.3
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