CID 533930

2,5-piperidinedione

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1CC(=O)NCC1=O
InChI
InChI=1S/C5H7NO2/c7-4-1-2-5(8)6-3-4/h1-3H2,(H,6,8)
InChIKey
ICZVBOAABXHPSZ-UHFFFAOYSA-N
Compound name
piperidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

276
Patents

113.047676 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 119.9
[M+Na]+ 136.03689 126.9
[M-H]- 112.04040 120.5
[M+NH4]+ 131.08150 140.4
[M+K]+ 152.01083 125.6
[M+H-H2O]+ 96.044936 114.4
[M+HCOO]- 158.04588 139.4
[M+CH3COO]- 172.06153 163.6
[M+Na-2H]- 134.02234 126.1
[M]+ 113.04713 114.5
[M]- 113.04822 114.5
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