CID 9549046

(2s)-4,6-dioxopiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H7NO4
SMILES
C1[C@H](NC(=O)CC1=O)C(=O)O
InChI
InChI=1S/C6H7NO4/c8-3-1-4(6(10)11)7-5(9)2-3/h4H,1-2H2,(H,7,9)(H,10,11)/t4-/m0/s1
InChIKey
JIOAUMVDGKPIAF-BYPYZUCNSA-N
Compound name
(2S)-4,6-dioxopiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

157.0375 Da
Monoisotopic Mass

-1.2
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

No patent data available for this compound.