CID 20580010

Dtxsid80608922

Structural Information

Molecular Formula
C21H30
SMILES
CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(CC3)C=C
InChI
InChI=1S/C21H30/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3
InChIKey
BCUMFFLWJNKNOU-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

282.23474 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.24202 171.9
[M+Na]+ 305.22396 173.6
[M-H]- 281.22746 179.3
[M+NH4]+ 300.26856 187.0
[M+K]+ 321.19790 168.0
[M+H-H2O]+ 265.23200 163.0
[M+HCOO]- 327.23294 186.7
[M+CH3COO]- 341.24859 203.6
[M+Na-2H]- 303.20941 170.2
[M]+ 282.23419 162.4
[M]- 282.23529 162.4
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