CID 278294

Nsc127711

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC1CCC(C(C1)C(CC2CC(=O)NC(=O)C2)O)O
InChI
InChI=1S/C14H23NO4/c1-8-2-3-11(16)10(4-8)12(17)5-9-6-13(18)15-14(19)7-9/h8-12,16-17H,2-7H2,1H3,(H,15,18,19)
InChIKey
LREJCOUCRDOELB-UHFFFAOYSA-N
Compound name
4-[2-hydroxy-2-(2-hydroxy-5-methylcyclohexyl)ethyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 164.7
[M+Na]+ 292.15194 167.6
[M-H]- 268.15544 164.6
[M+NH4]+ 287.19654 177.4
[M+K]+ 308.12588 163.9
[M+H-H2O]+ 252.15998 157.9
[M+HCOO]- 314.16092 174.6
[M+CH3COO]- 328.17657 192.2
[M+Na-2H]- 290.13739 161.6
[M]+ 269.16217 155.6
[M]- 269.16327 155.6
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.