CID 13651659

3chpenb

Structural Information

Molecular Formula
C26H34
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC/C=C/C
InChI
InChI=1S/C26H34/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h3,5,11-12,15-21,23H,4,6-10,13-14H2,1-2H3/b5-3+
InChIKey
YGCBKFXRCFKUON-HWKANZROSA-N
Compound name
1-[(E)-pent-3-enyl]-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.26605 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.27333 190.4
[M+Na]+ 369.25527 193.1
[M-H]- 345.25877 198.0
[M+NH4]+ 364.29987 203.2
[M+K]+ 385.22921 185.7
[M+H-H2O]+ 329.26331 180.5
[M+HCOO]- 391.26425 207.8
[M+CH3COO]- 405.27990 216.7
[M+Na-2H]- 367.24072 189.0
[M]+ 346.26550 186.8
[M]- 346.26660 186.8
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