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]+ 143.070266 119.9
[M+Na]+ 165.052208 126.3
[M-H]- 141.055714 125.2
[M+NH4]+ 160.096813 137.0
[M+K]+ 181.026148 129.1
[M+H-H2O]+ 125.060250 112.1
[M+HCOO]- 187.061191 139.7
[M+CH3COO]- 201.076841 171.6
[M+Na-2H]- 163.037656 126.6
[M]+ 142.06244142 126.6
[M]- 142.06353858 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.