CID 3054536

8-hydroxy-1-methylquinolinium iodide ethylcarbamate

Structural Information

Molecular Formula
C13H15N2O2
SMILES
CCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C
InChI
InChI=1S/C13H14N2O2/c1-3-14-13(16)17-11-8-4-6-10-7-5-9-15(2)12(10)11/h4-9H,3H2,1-2H3/p+1
InChIKey
POXZCBHDPYYSGG-UHFFFAOYSA-O
Compound name
(1-methylquinolin-1-ium-8-yl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.11336 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.12064 148.8
[M+Na]+ 254.10258 164.2
[M+NH4]+ 249.14718 158.1
[M+K]+ 270.07652 157.9
[M-H]- 230.10608 153.2
[M+Na-2H]- 252.08803 156.7
[M]+ 231.11281 152.5
[M]- 231.11391 152.5
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.