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]+ 218.10230 147.7
[M+Na]+ 240.08424 151.9
[M-H]- 216.08774 143.8
[M+NH4]+ 235.12884 161.7
[M+K]+ 256.05818 149.6
[M+H-H2O]+ 200.09228 142.0
[M+HCOO]- 262.09322 159.9
[M+CH3COO]- 276.10887 178.3
[M+Na-2H]- 238.06969 147.2
[M]+ 217.09447 141.7
[M]- 217.09557 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.