CID 19937987

129738-34-7

Structural Information

Molecular Formula
C19H34
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C=C
InChI
InChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h4,16-19H,2-3,5-15H2,1H3
InChIKey
ALEUVXQGVOQDBD-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

262.26605 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.27333 171.4
[M+Na]+ 285.25527 181.6
[M+NH4]+ 280.29987 180.7
[M+K]+ 301.22921 172.1
[M-H]- 261.25877 176.1
[M+Na-2H]- 283.24072 175.8
[M]+ 262.26550 174.1
[M]- 262.26660 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe