CID 12388269

2-oxo-3-piperidinecarboxylic 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

159
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 128.3
[M+Na]+ 166.047458 134.1
[M-H]- 142.050964 127.3
[M+NH4]+ 161.092063 146.7
[M+K]+ 182.021398 132.5
[M+H-H2O]+ 126.055500 122.7
[M+HCOO]- 188.056441 145.2
[M+CH3COO]- 202.072091 167.1
[M+Na-2H]- 164.032906 132.1
[M]+ 143.05769142 122.2
[M]- 143.05878858 122.2
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