CID 131489268

2-oxospiro[3.4]octane-6-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]+ 169.085916 132.6
[M+Na]+ 191.067858 138.0
[M-H]- 167.071364 137.0
[M+NH4]+ 186.112463 149.7
[M+K]+ 207.041798 139.3
[M+H-H2O]+ 151.075900 124.2
[M+HCOO]- 213.076841 151.6
[M+CH3COO]- 227.092491 177.5
[M+Na-2H]- 189.053306 135.7
[M]+ 168.07809142 137.9
[M]- 168.07918858 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.