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

263
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 170.3
[M+Na]+ 285.25527 170.7
[M-H]- 261.25877 174.2
[M+NH4]+ 280.29987 186.6
[M+K]+ 301.22921 166.3
[M+H-H2O]+ 245.26331 162.6
[M+HCOO]- 307.26425 184.4
[M+CH3COO]- 321.27990 200.8
[M+Na-2H]- 283.24072 168.1
[M]+ 262.26550 162.4
[M]- 262.26660 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

literature stripe

Patent stripe

patents stripe