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]+ 155.10666 128.8
[M+Na]+ 177.08860 134.0
[M-H]- 153.09210 132.9
[M+NH4]+ 172.13320 145.0
[M+K]+ 193.06254 135.2
[M+H-H2O]+ 137.09664 119.8
[M+HCOO]- 199.09758 146.6
[M+CH3COO]- 213.11323 175.8
[M+Na-2H]- 175.07405 134.5
[M]+ 154.09883 132.2
[M]- 154.09993 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