CID 161968

Nitroglutethimide

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(6-4-9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)
InChIKey
ZHPKYOHYUWTINN-UHFFFAOYSA-N
Compound name
3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

262.09537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 156.7
[M+Na]+ 285.08459 162.7
[M-H]- 261.08809 160.6
[M+NH4]+ 280.12919 172.2
[M+K]+ 301.05853 155.3
[M+H-H2O]+ 245.09263 154.2
[M+HCOO]- 307.09357 176.1
[M+CH3COO]- 321.10922 186.6
[M+Na-2H]- 283.07004 162.6
[M]+ 262.09482 151.6
[M]- 262.09592 151.6
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.