CID 165993029

8-hydroxy-6-oxaspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C7H10O3
SMILES
C1CC2(C1)C(COC2=O)O
InChI
InChI=1S/C7H10O3/c8-5-4-10-6(9)7(5)2-1-3-7/h5,8H,1-4H2
InChIKey
ZFJMXPCRGYFOLM-UHFFFAOYSA-N
Compound name
8-hydroxy-6-oxaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 119.9
[M+Na]+ 165.05221 126.3
[M-H]- 141.05571 125.2
[M+NH4]+ 160.09681 137.0
[M+K]+ 181.02615 129.1
[M+H-H2O]+ 125.06025 112.1
[M+HCOO]- 187.06119 139.7
[M+CH3COO]- 201.07684 171.6
[M+Na-2H]- 163.03766 126.6
[M]+ 142.06244 126.6
[M]- 142.06354 126.6
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.