CID 12695593

6,6-dimethylpiperidine-2,4-dione

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC1(CC(=O)CC(=O)N1)C
InChI
InChI=1S/C7H11NO2/c1-7(2)4-5(9)3-6(10)8-7/h3-4H2,1-2H3,(H,8,10)
InChIKey
APZLJMYONPJZSK-UHFFFAOYSA-N
Compound name
6,6-dimethylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

141.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 127.3
[M+Na]+ 164.068198 135.4
[M-H]- 140.071704 128.4
[M+NH4]+ 159.112803 149.1
[M+K]+ 180.042138 133.8
[M+H-H2O]+ 124.076240 122.8
[M+HCOO]- 186.077181 146.2
[M+CH3COO]- 200.092831 170.4
[M+Na-2H]- 162.053646 133.0
[M]+ 141.07843142 123.4
[M]- 141.07952858 123.4
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