CID 121048

3,3-dimethylpiperidine-2,6-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1(CCC(=O)NC1=O)C
InChI
InChI=1S/C7H11NO2/c1-7(2)4-3-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)
InChIKey
LRUBUFZTYOPVAZ-UHFFFAOYSA-N
Compound name
3,3-dimethylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

141.07898 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 129.7
[M+Na]+ 164.06820 140.6
[M+NH4]+ 159.11280 138.7
[M+K]+ 180.04214 133.7
[M-H]- 140.07170 129.9
[M+Na-2H]- 162.05365 135.2
[M]+ 141.07843 131.2
[M]- 141.07953 131.2
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