CID 11086663

96624-52-1

Structural Information

Molecular Formula
C19H36
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)CCC
InChI
InChI=1S/C19H36/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h16-19H,3-15H2,1-2H3
InChIKey
QYGWJCMCLQAINT-UHFFFAOYSA-N
Compound name
1-butyl-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

343
Patents

264.2817 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.28898 171.7
[M+Na]+ 287.27092 171.8
[M-H]- 263.27442 175.6
[M+NH4]+ 282.31552 188.0
[M+K]+ 303.24486 168.0
[M+H-H2O]+ 247.27896 164.0
[M+HCOO]- 309.27990 185.6
[M+CH3COO]- 323.29555 201.6
[M+Na-2H]- 285.25637 169.5
[M]+ 264.28115 164.6
[M]- 264.28225 164.6
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

No patent data available for this compound.