CID 95858

3-methylglutarimide

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1CC(=O)NC(=O)C1
InChI
InChI=1S/C6H9NO2/c1-4-2-5(8)7-6(9)3-4/h4H,2-3H2,1H3,(H,7,8,9)
InChIKey
OTQNZVVDFWNHDO-UHFFFAOYSA-N
Compound name
4-methylpiperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

176
Patents

127.06333 Da
Monoisotopic Mass

-0.2
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

literature stripe

Patent stripe

patents stripe