CID 316726

Spiro[3.5]nonan-5-one

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC2(CCC2)C(=O)C1
InChI
InChI=1S/C9H14O/c10-8-4-1-2-5-9(8)6-3-7-9/h1-7H2
InChIKey
IPJCEPFNIQBJSQ-UHFFFAOYSA-N
Compound name
spiro[3.5]nonan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 124.7
[M+Na]+ 161.09368 129.6
[M-H]- 137.09718 130.0
[M+NH4]+ 156.13828 142.1
[M+K]+ 177.06762 131.2
[M+H-H2O]+ 121.10172 115.5
[M+HCOO]- 183.10266 143.9
[M+CH3COO]- 197.11831 175.4
[M+Na-2H]- 159.07913 131.6
[M]+ 138.10391 128.1
[M]- 138.10501 128.1
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

patents stripe