CID 165880573

6-oxospiro[2.3]hexane-4-carboxylic acid

Structural Information

Molecular Formula
C7H8O3
SMILES
C1CC12C(CC2=O)C(=O)O
InChI
InChI=1S/C7H8O3/c8-5-3-4(6(9)10)7(5)1-2-7/h4H,1-3H2,(H,9,10)
InChIKey
DPUXNZRXUYOFRS-UHFFFAOYSA-N
Compound name
6-oxospiro[2.3]hexane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04735 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 125.9
[M+Na]+ 163.036568 134.9
[M-H]- 139.040074 132.0
[M+NH4]+ 158.081173 138.2
[M+K]+ 179.010508 136.1
[M+H-H2O]+ 123.044610 117.6
[M+HCOO]- 185.045551 146.0
[M+CH3COO]- 199.061201 177.4
[M+Na-2H]- 161.022016 132.0
[M]+ 140.04680142 136.1
[M]- 140.04789858 136.1
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.