CID 386089

Nsc677679

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1C(CC(=O)NC1=O)C(CO)O
InChI
InChI=1S/C7H11NO4/c9-3-5(10)4-1-6(11)8-7(12)2-4/h4-5,9-10H,1-3H2,(H,8,11,12)
InChIKey
JIYCVPXSPSMQIH-UHFFFAOYSA-N
Compound name
4-(1,2-dihydroxyethyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 135.8
[M+Na]+ 196.058018 141.6
[M-H]- 172.061524 133.6
[M+NH4]+ 191.102623 152.5
[M+K]+ 212.031958 139.5
[M+H-H2O]+ 156.066060 130.3
[M+HCOO]- 218.067001 151.0
[M+CH3COO]- 232.082651 171.2
[M+Na-2H]- 194.043466 138.0
[M]+ 173.06825142 130.1
[M]- 173.06934858 130.1
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.