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 143.4
[M+Na]+ 224.09200 151.9
[M-H]- 200.09550 147.3
[M+NH4]+ 219.13660 162.1
[M+K]+ 240.06594 143.2
[M+H-H2O]+ 184.10004 139.2
[M+HCOO]- 246.10098 165.7
[M+CH3COO]- 260.11663 181.9
[M+Na-2H]- 222.07745 153.4
[M]+ 201.10223 142.5
[M]- 201.10333 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.