CID 386086

Nsc677676

Structural Information

Molecular Formula
C9H15NO5
SMILES
C1C(CC(=O)NC1=O)CC(C(CO)O)O
InChI
InChI=1S/C9H15NO5/c11-4-7(13)6(12)1-5-2-8(14)10-9(15)3-5/h5-7,11-13H,1-4H2,(H,10,14,15)
InChIKey
JSSQSYVEYCBTSR-UHFFFAOYSA-N
Compound name
4-(2,3,4-trihydroxybutyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09502 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.102296 147.7
[M+Na]+ 240.084238 151.9
[M-H]- 216.087744 143.8
[M+NH4]+ 235.128843 161.7
[M+K]+ 256.058178 149.6
[M+H-H2O]+ 200.092280 142.0
[M+HCOO]- 262.093221 159.9
[M+CH3COO]- 276.108871 178.3
[M+Na-2H]- 238.069686 147.2
[M]+ 217.09447142 141.7
[M]- 217.09556858 141.7
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

No patent data available for this compound.