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]+ 156.06552 140.7
[M+Na]+ 178.04746 140.7
[M+NH4]+ 173.09206 140.6
[M+K]+ 194.02140 139.4
[M-H]- 154.05096 134.8
[M+Na-2H]- 176.03291 139.4
[M]+ 155.05769 136.6
[M]- 155.05879 136.6
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.