CID 19898178

6-methylpiperidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1CC(=O)CC(=O)N1
InChI
InChI=1S/C6H9NO2/c1-4-2-5(8)3-6(9)7-4/h4H,2-3H2,1H3,(H,7,9)
InChIKey
ANAIVIDMOFUACM-UHFFFAOYSA-N
Compound name
6-methylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

127.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 123.9
[M+Na]+ 150.052548 131.5
[M-H]- 126.056054 124.7
[M+NH4]+ 145.097153 144.2
[M+K]+ 166.026488 129.9
[M+H-H2O]+ 110.060590 118.6
[M+HCOO]- 172.061531 143.1
[M+CH3COO]- 186.077181 167.8
[M+Na-2H]- 148.037996 128.9
[M]+ 127.06278142 119.3
[M]- 127.06387858 119.3
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

patents stripe