CID 162086

4-hydroxyglutethimide

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCC1(C(CC(=O)NC1=O)O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-13(9-6-4-3-5-7-9)10(15)8-11(16)14-12(13)17/h3-7,10,15H,2,8H2,1H3,(H,14,16,17)
InChIKey
JGIKUBAOSPIQHH-UHFFFAOYSA-N
Compound name
3-ethyl-4-hydroxy-3-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

233.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 151.9
[M+Na]+ 256.09442 159.2
[M-H]- 232.09792 154.6
[M+NH4]+ 251.13902 169.0
[M+K]+ 272.06836 155.1
[M+H-H2O]+ 216.10246 145.4
[M+HCOO]- 278.10340 169.0
[M+CH3COO]- 292.11905 185.2
[M+Na-2H]- 254.07987 155.7
[M]+ 233.10465 147.6
[M]- 233.10575 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe