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]+ 261.257676 165.2
[M+Na]+ 283.239618 166.7
[M-H]- 259.243124 173.1
[M+NH4]+ 278.284223 178.9
[M+K]+ 299.213558 163.8
[M+H-H2O]+ 243.247660 156.9
[M+HCOO]- 305.248601 176.4
[M+CH3COO]- 319.264251 173.4
[M+Na-2H]- 281.225066 165.9
[M]+ 260.24985142 155.1
[M]- 260.25094858 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.