CID 276875

Bicyclo[3.3.1]nonan-3-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CC2CC(C1)CC(=O)C2
InChI
InChI=1S/C9H14O/c10-9-5-7-2-1-3-8(4-7)6-9/h7-8H,1-6H2
InChIKey
ANFLIDKLELMAAQ-UHFFFAOYSA-N
Compound name
bicyclo[3.3.1]nonan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

138.10446 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe