CID 137952044

2-oxo-1-azaspiro[3.3]heptane-6-carboxylic acid

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1C(CC12CC(=O)N2)C(=O)O
InChI
InChI=1S/C7H9NO3/c9-5-3-7(8-5)1-4(2-7)6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)
InChIKey
QALWTSCKKZRVBD-UHFFFAOYSA-N
Compound name
2-oxo-1-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.065516 128.0
[M+Na]+ 178.047458 132.4
[M-H]- 154.050964 129.8
[M+NH4]+ 173.092063 134.9
[M+K]+ 194.021398 136.4
[M+H-H2O]+ 138.055500 114.6
[M+HCOO]- 200.056441 142.7
[M+CH3COO]- 214.072091 183.8
[M+Na-2H]- 176.032906 132.3
[M]+ 155.05769142 140.8
[M]- 155.05878858 140.8
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.