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

218
Patents

143.05824 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.3
[M+Na]+ 166.04746 134.1
[M-H]- 142.05096 127.3
[M+NH4]+ 161.09206 146.7
[M+K]+ 182.02140 132.5
[M+H-H2O]+ 126.05550 122.7
[M+HCOO]- 188.05644 145.2
[M+CH3COO]- 202.07209 167.1
[M+Na-2H]- 164.03291 132.1
[M]+ 143.05769 122.2
[M]- 143.05879 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