CID 44147048

Einecs 279-301-6

Structural Information

Molecular Formula
C12H15N2O2
SMILES
CC1CC(=O)NC(=O)C1[N+]2=CC=CC(=C2)C
InChI
InChI=1S/C12H14N2O2/c1-8-4-3-5-14(7-8)11-9(2)6-10(15)13-12(11)16/h3-5,7,9,11H,6H2,1-2H3/p+1
InChIKey
APQMRULURDLUHI-UHFFFAOYSA-O
Compound name
4-methyl-3-(3-methylpyridin-1-ium-1-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11336 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12064 150.4
[M+Na]+ 242.10258 158.5
[M-H]- 218.10608 153.5
[M+NH4]+ 237.14718 165.5
[M+K]+ 258.07652 148.9
[M+H-H2O]+ 202.11062 145.3
[M+HCOO]- 264.11156 167.4
[M+CH3COO]- 278.12721 179.8
[M+Na-2H]- 240.08803 155.6
[M]+ 219.11281 145.4
[M]- 219.11391 145.4
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

No patent data available for this compound.