CID 276066

Nsc123301

Structural Information

Molecular Formula
C12H19NO4
SMILES
C1CC(C(C1)O)C(CC2CC(=O)NC(=O)C2)O
InChI
InChI=1S/C12H19NO4/c14-9-3-1-2-8(9)10(15)4-7-5-11(16)13-12(17)6-7/h7-10,14-15H,1-6H2,(H,13,16,17)
InChIKey
CEOQPAVAUMVHFB-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(2-hydroxycyclopentyl)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 156.4
[M+Na]+ 264.12063 160.0
[M-H]- 240.12413 156.7
[M+NH4]+ 259.16523 171.8
[M+K]+ 280.09457 156.6
[M+H-H2O]+ 224.12867 150.2
[M+HCOO]- 286.12961 169.2
[M+CH3COO]- 300.14526 184.2
[M+Na-2H]- 262.10608 153.5
[M]+ 241.13086 148.2
[M]- 241.13196 148.2
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.