CID 165647916

2751696-92-9

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1C[C@@]2(C[C@H]1NC2=O)C(=O)O
InChI
InChI=1S/C7H9NO3/c9-5-7(6(10)11)2-1-4(3-7)8-5/h4H,1-3H2,(H,8,9)(H,10,11)/t4-,7-/m0/s1
InChIKey
AGBCUIFYNLYONY-FFWSUHOLSA-N
Compound name
(1S,4S)-3-oxo-2-azabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 132.7
[M+Na]+ 178.04746 139.5
[M+NH4]+ 173.09206 141.2
[M+K]+ 194.02140 137.9
[M-H]- 154.05096 129.8
[M+Na-2H]- 176.03291 133.5
[M]+ 155.05769 132.4
[M]- 155.05879 132.4
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.