CID 141652092

4chpenb

Structural Information

Molecular Formula
C27H36
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC/C=C/C
InChI
InChI=1S/C27H36/c1-3-5-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(11-15-24)8-6-4-2/h3,5,12-13,16-22,24H,4,6-11,14-15H2,1-2H3/b5-3+
InChIKey
BUPKBCQPDKGPAN-HWKANZROSA-N
Compound name
1-(4-butylcyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.2817 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.28898 194.9
[M+Na]+ 383.27092 197.2
[M-H]- 359.27442 202.2
[M+NH4]+ 378.31552 207.1
[M+K]+ 399.24486 189.5
[M+H-H2O]+ 343.27896 184.7
[M+HCOO]- 405.27990 211.9
[M+CH3COO]- 419.29555 219.7
[M+Na-2H]- 381.25637 192.9
[M]+ 360.28115 191.6
[M]- 360.28225 191.6
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

No patent data available for this compound.