CID 3255572

7,7-dicyclohexyl-bicyclo(4.1.0)heptane

Structural Information

Molecular Formula
C19H32
SMILES
C1CCC(CC1)C2(C3C2CCCC3)C4CCCCC4
InChI
InChI=1S/C19H32/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18(17)19/h15-18H,1-14H2
InChIKey
BIWYPJVIZZDWME-UHFFFAOYSA-N
Compound name
7,7-dicyclohexylbicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.2504 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.25768 165.2
[M+Na]+ 283.23962 166.7
[M-H]- 259.24312 173.1
[M+NH4]+ 278.28422 178.9
[M+K]+ 299.21356 163.8
[M+H-H2O]+ 243.24766 156.9
[M+HCOO]- 305.24860 176.4
[M+CH3COO]- 319.26425 173.4
[M+Na-2H]- 281.22507 165.9
[M]+ 260.24985 155.1
[M]- 260.25095 155.1
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.