CID 556851

97398-80-6

Structural Information

Molecular Formula
C16H30O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)OC
InChI
InChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3
InChIKey
JMOYCPSDEMHCFG-UHFFFAOYSA-N
Compound name
1-methoxy-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

298
Patents

238.22966 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.236936 161.7
[M+Na]+ 261.218878 163.0
[M-H]- 237.222384 166.1
[M+NH4]+ 256.263483 179.0
[M+K]+ 277.192818 160.5
[M+H-H2O]+ 221.226920 154.4
[M+HCOO]- 283.227861 176.9
[M+CH3COO]- 297.243511 194.5
[M+Na-2H]- 259.204326 161.1
[M]+ 238.22911142 155.0
[M]- 238.23020858 155.0
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