CID 13651658

Pen3bch

Structural Information

Molecular Formula
C20H36
SMILES
CCCC1CCC(CC1)C2CCC(CC2)CC/C=C/C
InChI
InChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3,5,17-20H,4,6-16H2,1-2H3/b5-3+
InChIKey
NQFRXZWQQRMBCY-HWKANZROSA-N
Compound name
1-[(E)-pent-3-enyl]-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

276.2817 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.28898 175.0
[M+Na]+ 299.27092 175.0
[M-H]- 275.27442 178.7
[M+NH4]+ 294.31552 190.8
[M+K]+ 315.24486 170.3
[M+H-H2O]+ 259.27896 167.1
[M+HCOO]- 321.27990 188.7
[M+CH3COO]- 335.29555 203.1
[M+Na-2H]- 297.25637 172.2
[M]+ 276.28115 167.4
[M]- 276.28225 167.4
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