CID 141652093

2chpenb

Structural Information

Molecular Formula
C25H32
SMILES
CCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC/C=C/C
InChI
InChI=1S/C25H32/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h3,5,10-11,14-20,22H,4,6-9,12-13H2,1-2H3/b5-3+
InChIKey
UUKIOKDRFQIRTQ-HWKANZROSA-N
Compound name
1-(4-ethylcyclohexyl)-4-[4-[(E)-pent-3-enyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.2504 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.25768 185.9
[M+Na]+ 355.23962 189.1
[M-H]- 331.24312 193.7
[M+NH4]+ 350.28422 199.3
[M+K]+ 371.21356 181.9
[M+H-H2O]+ 315.24766 176.2
[M+HCOO]- 377.24860 203.7
[M+CH3COO]- 391.26425 213.8
[M+Na-2H]- 353.22507 185.1
[M]+ 332.24985 182.0
[M]- 332.25095 182.0
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.