CID 55263426

7-hydroxyspiro[3.5]nonan-2-one

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC2(CCC1O)CC(=O)C2
InChI
InChI=1S/C9H14O2/c10-7-1-3-9(4-2-7)5-8(11)6-9/h7,10H,1-6H2
InChIKey
WCKFHJYQFLFMKN-UHFFFAOYSA-N
Compound name
7-hydroxyspiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.09938 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 128.8
[M+Na]+ 177.088598 134.0
[M-H]- 153.092104 132.9
[M+NH4]+ 172.133203 145.0
[M+K]+ 193.062538 135.2
[M+H-H2O]+ 137.096640 119.8
[M+HCOO]- 199.097581 146.6
[M+CH3COO]- 213.113231 175.8
[M+Na-2H]- 175.074046 134.5
[M]+ 154.09883142 132.2
[M]- 154.09992858 132.2
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