CID 6337945

(3s,5r)-carbapenam-3-carboxylate

Structural Information

Molecular Formula
C7H9NO3
SMILES
C1C[C@H](N2[C@@H]1CC2=O)C(=O)O
InChI
InChI=1S/C7H9NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h4-5H,1-3H2,(H,10,11)/t4-,5-/m0/s1
InChIKey
RJPDELAUUYAFTQ-WHFBIAKZSA-N
Compound name
(2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3
Patents

155.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 127.6
[M+Na]+ 178.04746 134.1
[M-H]- 154.05096 129.5
[M+NH4]+ 173.09206 142.8
[M+K]+ 194.02140 135.9
[M+H-H2O]+ 138.05550 117.9
[M+HCOO]- 200.05644 145.8
[M+CH3COO]- 214.07209 176.9
[M+Na-2H]- 176.03291 130.8
[M]+ 155.05769 134.7
[M]- 155.05879 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe