CID 217091

3-acetamido-1-methylquinolinium iodide

Structural Information

Molecular Formula
C12H13N2O
SMILES
CC(=O)NC1=CC2=CC=CC=C2[N+](=C1)C
InChI
InChI=1S/C12H12N2O/c1-9(15)13-11-7-10-5-3-4-6-12(10)14(2)8-11/h3-8H,1-2H3/p+1
InChIKey
SGGYLRGFXUGCKX-UHFFFAOYSA-O
Compound name
N-(1-methylquinolin-1-ium-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10278 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.11006 140.8
[M+Na]+ 224.09200 156.8
[M+NH4]+ 219.13660 150.8
[M+K]+ 240.06594 150.3
[M-H]- 200.09550 145.7
[M+Na-2H]- 222.07745 149.4
[M]+ 201.10223 144.9
[M]- 201.10333 144.9
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.