CID 178200013

2-hydroxyspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC(=O)C2(C1)CC(C2)O
InChI
InChI=1S/C8H12O2/c9-6-4-8(5-6)3-1-2-7(8)10/h6,9H,1-5H2
InChIKey
FRSUJTLDSPJCID-UHFFFAOYSA-N
Compound name
2-hydroxyspiro[3.4]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 124.6
[M+Na]+ 163.072938 130.8
[M-H]- 139.076444 129.2
[M+NH4]+ 158.117543 143.1
[M+K]+ 179.046878 131.8
[M+H-H2O]+ 123.080980 116.6
[M+HCOO]- 185.081921 144.7
[M+CH3COO]- 199.097571 172.6
[M+Na-2H]- 161.058386 129.6
[M]+ 140.08317142 129.6
[M]- 140.08426858 129.6
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

No patent data available for this compound.