CID 45087316

1-methylpiperidine-2,5-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CN1CC(=O)CCC1=O
InChI
InChI=1S/C6H9NO2/c1-7-4-5(8)2-3-6(7)9/h2-4H2,1H3
InChIKey
CESFOYQRKATOPJ-UHFFFAOYSA-N
Compound name
1-methylpiperidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.06333 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 122.7
[M+Na]+ 150.052548 130.7
[M-H]- 126.056054 125.0
[M+NH4]+ 145.097153 143.7
[M+K]+ 166.026488 130.1
[M+H-H2O]+ 110.060590 117.2
[M+HCOO]- 172.061531 143.4
[M+CH3COO]- 186.077181 170.5
[M+Na-2H]- 148.037996 128.3
[M]+ 127.06278142 120.0
[M]- 127.06387858 120.0
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