CID 17870308

3-propylpiperidine-2,6-dione

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCCC1CCC(=O)NC1=O
InChI
InChI=1S/C8H13NO2/c1-2-3-6-4-5-7(10)9-8(6)11/h6H,2-5H2,1H3,(H,9,10,11)
InChIKey
JFKNKVHSXORHEN-UHFFFAOYSA-N
Compound name
3-propylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 134.1
[M+Na]+ 178.08386 144.6
[M+NH4]+ 173.12846 141.4
[M+K]+ 194.05780 139.1
[M-H]- 154.08736 134.2
[M+Na-2H]- 176.06931 137.7
[M]+ 155.09409 135.2
[M]- 155.09519 135.2
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