CID 20343377

4ch2p

Structural Information

Molecular Formula
C18H28
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)CC
InChI
InChI=1S/C18H28/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h7-8,11-12,16,18H,3-6,9-10,13-14H2,1-2H3
InChIKey
VXAPTJFPJNYKQT-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 161.8
[M+Na]+ 267.20832 165.5
[M-H]- 243.21182 167.0
[M+NH4]+ 262.25292 179.3
[M+K]+ 283.18226 161.3
[M+H-H2O]+ 227.21636 154.3
[M+HCOO]- 289.21730 180.5
[M+CH3COO]- 303.23295 197.4
[M+Na-2H]- 265.19377 163.3
[M]+ 244.21855 158.7
[M]- 244.21965 158.7
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.