CID 122374301

Pech3b

Structural Information

Molecular Formula
C24H30
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)/C=C/C
InChI
InChI=1S/C24H30/c1-3-5-19-7-11-21(12-8-19)23-15-17-24(18-16-23)22-13-9-20(6-4-2)10-14-22/h3,5,9-10,13-19,21H,4,6-8,11-12H2,1-2H3/b5-3+
InChIKey
XUBYYJWSFONKLI-HWKANZROSA-N
Compound name
1-[4-[(E)-prop-1-enyl]cyclohexyl]-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23474 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.24202 181.4
[M+Na]+ 341.22396 185.1
[M-H]- 317.22746 189.4
[M+NH4]+ 336.26856 195.4
[M+K]+ 357.19790 178.1
[M+H-H2O]+ 301.23200 171.9
[M+HCOO]- 363.23294 199.5
[M+CH3COO]- 377.24859 210.8
[M+Na-2H]- 339.20941 181.2
[M]+ 318.23419 177.1
[M]- 318.23529 177.1
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.