CID 58840050

5chpenb

Structural Information

Molecular Formula
C28H38
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC/C=C/C
InChI
InChI=1S/C28H38/c1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-28(22-20-27)26-17-13-24(14-18-26)10-8-6-4-2/h3,5,11-12,15-16,19-22,24,26H,4,6-10,13-14,17-18H2,1-2H3/b5-3+
InChIKey
QKNZHIPVNWFMBF-HWKANZROSA-N
Compound name
1-[(E)-pent-3-enyl]-4-[4-(4-pentylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.29736 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.30464 199.3
[M+Na]+ 397.28658 201.1
[M-H]- 373.29008 206.4
[M+NH4]+ 392.33118 210.9
[M+K]+ 413.26052 193.3
[M+H-H2O]+ 357.29462 188.9
[M+HCOO]- 419.29556 216.0
[M+CH3COO]- 433.31121 222.6
[M+Na-2H]- 395.27203 196.8
[M]+ 374.29681 196.3
[M]- 374.29791 196.3
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