CID 86638

Bicyclo[3.3.1]nonan-9-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC2CCCC(C1)C2=O
InChI
InChI=1S/C9H14O/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
InChIKey
SKTMMSQPXGWCAP-UHFFFAOYSA-N
Compound name
bicyclo[3.3.1]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

274
Patents

138.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 127.7
[M+Na]+ 161.093678 132.8
[M-H]- 137.097184 129.7
[M+NH4]+ 156.138283 150.8
[M+K]+ 177.067618 131.1
[M+H-H2O]+ 121.101720 122.7
[M+HCOO]- 183.102661 145.1
[M+CH3COO]- 197.118311 174.1
[M+Na-2H]- 159.079126 134.5
[M]+ 138.10391142 122.2
[M]- 138.10500858 122.2
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