CID 161968

3-ethyl-3-(4-nitrophenyl)piperidine-2,6-dione

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

5
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 157.3
[M+Na]+ 285.08459 169.7
[M+NH4]+ 280.12919 165.2
[M+K]+ 301.05853 164.7
[M-H]- 261.08809 160.5
[M+Na-2H]- 283.07004 164.1
[M]+ 262.09482 159.7
[M]- 262.09592 159.7
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