CID 22290094

279246-65-0

Structural Information

Molecular Formula
C18H32
SMILES
CCCC1CCC(CC1)C2CCC(CC2)/C=C/C
InChI
InChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+
InChIKey
IASLDLGGHXYCEO-HWKANZROSA-N
Compound name
1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

242
Patents

248.2504 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.25768 166.1
[M+Na]+ 271.23962 167.0
[M-H]- 247.24312 170.2
[M+NH4]+ 266.28422 183.0
[M+K]+ 287.21356 162.8
[M+H-H2O]+ 231.24766 158.6
[M+HCOO]- 293.24860 180.5
[M+CH3COO]- 307.26425 197.1
[M+Na-2H]- 269.22507 164.4
[M]+ 248.24985 157.8
[M]- 248.25095 157.8
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