CID 53883875

Pen5bch

Structural Information

Molecular Formula
C22H40
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)CC/C=C/C
InChI
InChI=1S/C22H40/c1-3-5-7-9-19-11-15-21(16-12-19)22-17-13-20(14-18-22)10-8-6-4-2/h3,5,19-22H,4,6-18H2,1-2H3/b5-3+
InChIKey
HLSXDVCTCSGJKR-HWKANZROSA-N
Compound name
1-[(E)-pent-3-enyl]-4-(4-pentylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

304.313 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.32028 183.8
[M+Na]+ 327.30222 182.9
[M-H]- 303.30572 187.1
[M+NH4]+ 322.34682 198.4
[M+K]+ 343.27616 177.8
[M+H-H2O]+ 287.31026 175.5
[M+HCOO]- 349.31120 196.9
[M+CH3COO]- 363.32685 209.1
[M+Na-2H]- 325.28767 179.9
[M]+ 304.31245 176.9
[M]- 304.31355 176.9
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

patents stripe