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]+ 156.065516 132.5
[M+Na]+ 178.047458 140.4
[M-H]- 154.050964 131.7
[M+NH4]+ 173.092063 157.7
[M+K]+ 194.021398 138.2
[M+H-H2O]+ 138.055500 128.9
[M+HCOO]- 200.056441 150.1
[M+CH3COO]- 214.072091 168.9
[M+Na-2H]- 176.032906 136.4
[M]+ 155.05769142 129.4
[M]- 155.05878858 129.4
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.