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

17
Patents

204.08987 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 144.2
[M+Na]+ 227.07909 151.1
[M-H]- 203.08259 147.7
[M+NH4]+ 222.12369 160.6
[M+K]+ 243.05303 147.0
[M+H-H2O]+ 187.08713 136.9
[M+HCOO]- 249.08807 163.7
[M+CH3COO]- 263.10372 184.4
[M+Na-2H]- 225.06454 147.7
[M]+ 204.08932 137.6
[M]- 204.09042 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

No literature data available for this compound.

Patent stripe

patents stripe