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]+ 141.05463 125.9
[M+Na]+ 163.03657 134.9
[M-H]- 139.04007 132.0
[M+NH4]+ 158.08117 138.2
[M+K]+ 179.01051 136.1
[M+H-H2O]+ 123.04461 117.6
[M+HCOO]- 185.04555 146.1
[M+CH3COO]- 199.06120 177.4
[M+Na-2H]- 161.02202 132.0
[M]+ 140.04680 136.1
[M]- 140.04790 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.