CID 82608975

3-(3-aminophenyl)piperidine-2,6-dione hydrochloride

Structural Information

Molecular Formula
C11H12N2O2
SMILES
C1CC(=O)NC(=O)C1C2=CC(=CC=C2)N
InChI
InChI=1S/C11H12N2O2/c12-8-3-1-2-7(6-8)9-4-5-10(14)13-11(9)15/h1-3,6,9H,4-5,12H2,(H,13,14,15)
InChIKey
WASRWSKUJBTVIY-UHFFFAOYSA-N
Compound name
3-(3-aminophenyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

204.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 144.2
[M+Na]+ 227.079088 151.1
[M-H]- 203.082594 147.7
[M+NH4]+ 222.123693 160.6
[M+K]+ 243.053028 147.0
[M+H-H2O]+ 187.087130 136.9
[M+HCOO]- 249.088071 163.7
[M+CH3COO]- 263.103721 184.4
[M+Na-2H]- 225.064536 147.7
[M]+ 204.08932142 137.6
[M]- 204.09041858 137.6
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