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]+ 202.110056 143.4
[M+Na]+ 224.091998 151.9
[M-H]- 200.095504 147.3
[M+NH4]+ 219.136603 162.1
[M+K]+ 240.065938 143.2
[M+H-H2O]+ 184.100040 139.2
[M+HCOO]- 246.100981 165.7
[M+CH3COO]- 260.116631 181.9
[M+Na-2H]- 222.077446 153.4
[M]+ 201.10223142 142.5
[M]- 201.10332858 142.5
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.