CID 53875941

Vch3b

Structural Information

Molecular Formula
C23H28
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)C=C
InChI
InChI=1S/C23H28/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h4,8-9,12-18,20H,2-3,5-7,10-11H2,1H3
InChIKey
HGKMDSHBJPADTO-UHFFFAOYSA-N
Compound name
1-(4-ethenylcyclohexyl)-4-(4-propylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

304.2191 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22638 176.6
[M+Na]+ 327.20832 180.6
[M-H]- 303.21182 184.8
[M+NH4]+ 322.25292 191.1
[M+K]+ 343.18226 173.9
[M+H-H2O]+ 287.21636 167.3
[M+HCOO]- 349.21730 195.1
[M+CH3COO]- 363.23295 208.5
[M+Na-2H]- 325.19377 177.0
[M]+ 304.21855 172.1
[M]- 304.21965 172.1
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

patents stripe