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]+ 174.07608 135.8
[M+Na]+ 196.05802 141.6
[M-H]- 172.06152 133.6
[M+NH4]+ 191.10262 152.5
[M+K]+ 212.03196 139.5
[M+H-H2O]+ 156.06606 130.3
[M+HCOO]- 218.06700 151.0
[M+CH3COO]- 232.08265 171.2
[M+Na-2H]- 194.04347 138.0
[M]+ 173.06825 130.1
[M]- 173.06935 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.