CID 3043946

56392-80-4

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1(CC(C(=O)NC1=O)N)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O2/c1-2-13(9-6-4-3-5-7-9)8-10(14)11(16)15-12(13)17/h3-7,10H,2,8,14H2,1H3,(H,15,16,17)
InChIKey
RQJOABCLXUBEQN-UHFFFAOYSA-N
Compound name
5-amino-3-ethyl-3-phenylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.8
[M+Na]+ 255.11041 159.8
[M-H]- 231.11391 156.3
[M+NH4]+ 250.15501 170.1
[M+K]+ 271.08435 155.6
[M+H-H2O]+ 215.11845 145.8
[M+HCOO]- 277.11939 171.6
[M+CH3COO]- 291.13504 190.0
[M+Na-2H]- 253.09586 156.4
[M]+ 232.12064 147.2
[M]- 232.12174 147.2
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.