CID 12388269

2-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(C(=O)NC1)C(=O)O
InChI
InChI=1S/C6H9NO3/c8-5-4(6(9)10)2-1-3-7-5/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
HQSIETYOWKHBCH-UHFFFAOYSA-N
Compound name
2-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.1
[M+Na]+ 166.04746 138.2
[M+NH4]+ 161.09206 135.6
[M+K]+ 182.02140 134.6
[M-H]- 142.05096 127.9
[M+Na-2H]- 164.03291 131.9
[M]+ 143.05769 129.5
[M]- 143.05879 129.5
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

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