CID 19850402

96624-41-8

Structural Information

Molecular Formula
C17H32
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CC
InChI
InChI=1S/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3
InChIKey
KORMYSCDCHFFMN-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

284
Patents

236.2504 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.25768 162.8
[M+Na]+ 259.23962 163.7
[M-H]- 235.24312 167.0
[M+NH4]+ 254.28422 180.3
[M+K]+ 275.21356 160.4
[M+H-H2O]+ 219.24766 155.4
[M+HCOO]- 281.24860 177.4
[M+CH3COO]- 295.26425 195.6
[M+Na-2H]- 257.22507 161.6
[M]+ 236.24985 154.9
[M]- 236.25095 154.9
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.