CID 112638

Benzene, (3-cyclohexyl-1,1-dimethylbutyl)-

Structural Information

Molecular Formula
C18H28
SMILES
CC(CC(C)(C)C1=CC=CC=C1)C2CCCCC2
InChI
InChI=1S/C18H28/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h5,8-9,12-13,15-16H,4,6-7,10-11,14H2,1-3H3
InChIKey
VLFGLKBCRKWFFQ-UHFFFAOYSA-N
Compound name
(4-cyclohexyl-2-methylpentan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

244.2191 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.22638 162.0
[M+Na]+ 267.20832 164.0
[M-H]- 243.21182 166.8
[M+NH4]+ 262.25292 178.8
[M+K]+ 283.18226 160.7
[M+H-H2O]+ 227.21636 154.8
[M+HCOO]- 289.21730 178.1
[M+CH3COO]- 303.23295 196.4
[M+Na-2H]- 265.19377 164.3
[M]+ 244.21855 157.1
[M]- 244.21965 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe