CID 20580010

155041-85-3

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

673
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 174.1
[M+Na]+ 305.22396 187.3
[M+NH4]+ 300.26856 184.3
[M+K]+ 321.19790 177.1
[M-H]- 281.22746 181.7
[M+Na-2H]- 303.20941 182.0
[M]+ 282.23419 178.2
[M]- 282.23529 178.2
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