CID 136101

Bicyclo[3.3.1]nonane

Structural Information

Molecular Formula
C9H16
SMILES
C1CC2CCCC(C1)C2
InChI
InChI=1S/C9H16/c1-3-8-5-2-6-9(4-1)7-8/h8-9H,1-7H2
InChIKey
WNTGVOIBBXFMLR-UHFFFAOYSA-N
Compound name
bicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

8343
Patents

124.1252 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.13248 126.9
[M+Na]+ 147.11442 138.3
[M+NH4]+ 142.15902 138.4
[M+K]+ 163.08836 130.5
[M-H]- 123.11792 129.9
[M+Na-2H]- 145.09987 131.7
[M]+ 124.12465 129.4
[M]- 124.12575 129.4
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