CID 237026

2,6-dioxo-4-piperidinecarboxylic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1C(CC(=O)NC1=O)C(=O)O
InChI
InChI=1S/C6H7NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h3H,1-2H2,(H,10,11)(H,7,8,9)
InChIKey
QQGLSDQDZJVJSB-UHFFFAOYSA-N
Compound name
2,6-dioxopiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

157.0375 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 128.8
[M+Na]+ 180.026718 135.9
[M-H]- 156.030224 128.3
[M+NH4]+ 175.071323 146.8
[M+K]+ 196.000658 134.2
[M+H-H2O]+ 140.034760 123.5
[M+HCOO]- 202.035701 146.1
[M+CH3COO]- 216.051351 169.7
[M+Na-2H]- 178.012166 132.2
[M]+ 157.03695142 124.0
[M]- 157.03804858 124.0
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