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 128.0
[M+Na]+ 178.04746 132.4
[M-H]- 154.05096 129.8
[M+NH4]+ 173.09206 134.9
[M+K]+ 194.02140 136.4
[M+H-H2O]+ 138.05550 114.6
[M+HCOO]- 200.05644 142.7
[M+CH3COO]- 214.07209 183.8
[M+Na-2H]- 176.03291 132.3
[M]+ 155.05769 140.8
[M]- 155.05879 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.