CID 19898279

1-methylpiperidine-2,4-dione

Structural Information

Molecular Formula
C6H9NO2
SMILES
CN1CCC(=O)CC1=O
InChI
InChI=1S/C6H9NO2/c1-7-3-2-5(8)4-6(7)9/h2-4H2,1H3
InChIKey
FLHLLNQXQGRGBP-UHFFFAOYSA-N
Compound name
1-methylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

127.06333 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 122.7
[M+Na]+ 150.05255 130.7
[M-H]- 126.05605 125.0
[M+NH4]+ 145.09715 143.7
[M+K]+ 166.02649 130.1
[M+H-H2O]+ 110.06059 117.2
[M+HCOO]- 172.06153 143.4
[M+CH3COO]- 186.07718 170.5
[M+Na-2H]- 148.03800 128.3
[M]+ 127.06278 120.0
[M]- 127.06388 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