CID 61950648

3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione dihydrochloride

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C1CN(CCC1N)C2CC(=O)NC2=O
InChI
InChI=1S/C9H15N3O2/c10-6-1-3-12(4-2-6)7-5-8(13)11-9(7)14/h6-7H,1-5,10H2,(H,11,13,14)
InChIKey
QAWCPEBARSTQOY-UHFFFAOYSA-N
Compound name
3-(4-aminopiperidin-1-yl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.0
[M+Na]+ 220.105638 150.5
[M-H]- 196.109144 146.6
[M+NH4]+ 215.150243 162.0
[M+K]+ 236.079578 147.4
[M+H-H2O]+ 180.113680 137.5
[M+HCOO]- 242.114621 161.6
[M+CH3COO]- 256.130271 181.8
[M+Na-2H]- 218.091086 144.9
[M]+ 197.11587142 136.0
[M]- 197.11696858 136.0
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.