CID 181860

1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-2-one

Structural Information

Molecular Formula
C12H13N2O
SMILES
CN1C=CC(=CC1=O)C2=CC=[N+](C=C2)C
InChI
InChI=1S/C12H13N2O/c1-13-6-3-10(4-7-13)11-5-8-14(2)12(15)9-11/h3-9H,1-2H3/q+1
InChIKey
JJAUDUMTDBMCJW-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.10278 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.11006 144.0
[M+Na]+ 224.09200 154.4
[M-H]- 200.09550 149.2
[M+NH4]+ 219.13660 160.6
[M+K]+ 240.06594 145.1
[M+H-H2O]+ 184.10004 138.5
[M+HCOO]- 246.10098 166.4
[M+CH3COO]- 260.11663 179.3
[M+Na-2H]- 222.07745 153.3
[M]+ 201.10223 144.0
[M]- 201.10333 144.0
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