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
1
Annotation Hits

1
References

347
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

literature stripe

Patent stripe

patents stripe