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

76
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 127.7
[M+Na]+ 161.09368 132.8
[M-H]- 137.09718 129.7
[M+NH4]+ 156.13828 150.8
[M+K]+ 177.06762 131.1
[M+H-H2O]+ 121.10172 122.7
[M+HCOO]- 183.10266 145.1
[M+CH3COO]- 197.11831 174.1
[M+Na-2H]- 159.07913 134.5
[M]+ 138.10391 122.2
[M]- 138.10501 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