CID 53487171

694510-10-6

Structural Information

Molecular Formula
C19H34
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)/C=C/C
InChI
InChI=1S/C19H34/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h4,6,16-19H,3,5,7-15H2,1-2H3/b6-4+
InChIKey
AOROKJCCSHCTIW-GQCTYLIASA-N
Compound name
1-butyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

262.26605 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.27333 171.5
[M+Na]+ 285.25527 181.8
[M+NH4]+ 280.29987 180.8
[M+K]+ 301.22921 172.3
[M-H]- 261.25877 176.3
[M+Na-2H]- 283.24072 175.9
[M]+ 262.26550 174.2
[M]- 262.26660 174.2
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