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 170.5
[M+Na]+ 285.25527 171.0
[M-H]- 261.25877 174.4
[M+NH4]+ 280.29987 186.9
[M+K]+ 301.22921 166.6
[M+H-H2O]+ 245.26331 162.9
[M+HCOO]- 307.26425 184.7
[M+CH3COO]- 321.27990 200.1
[M+Na-2H]- 283.24072 168.3
[M]+ 262.26550 162.6
[M]- 262.26660 162.6
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