CID 131489268

2-oxospiro[3.4]octane-7-carboxylic acid

Structural Information

Molecular Formula
C9H12O3
SMILES
C1CC2(CC1C(=O)O)CC(=O)C2
InChI
InChI=1S/C9H12O3/c10-7-4-9(5-7)2-1-6(3-9)8(11)12/h6H,1-5H2,(H,11,12)
InChIKey
QMCPYYWXKAFBNN-UHFFFAOYSA-N
Compound name
2-oxospiro[3.4]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.6
[M+Na]+ 191.06786 138.0
[M-H]- 167.07136 137.0
[M+NH4]+ 186.11246 149.7
[M+K]+ 207.04180 139.3
[M+H-H2O]+ 151.07590 124.2
[M+HCOO]- 213.07684 151.6
[M+CH3COO]- 227.09249 177.5
[M+Na-2H]- 189.05331 135.7
[M]+ 168.07809 137.9
[M]- 168.07919 137.9
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.