CID 560090

6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC(=O)NCC1C(=O)O
InChI
InChI=1S/C6H9NO3/c8-5-2-1-4(3-7-5)6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
LWZUSLUUMWDITR-UHFFFAOYSA-N
Compound name
6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

143.05824 Da
Monoisotopic Mass

-0.9
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

No literature data available for this compound.

Patent stripe

patents stripe