CID 3054528

8-hydroxy-1-methylquinaldinium iodide ethylcarbamate

Structural Information

Molecular Formula
C14H17N2O2
SMILES
CCNC(=O)OC1=CC=CC2=C1[N+](=C(C=C2)C)C
InChI
InChI=1S/C14H16N2O2/c1-4-15-14(17)18-12-7-5-6-11-9-8-10(2)16(3)13(11)12/h5-9H,4H2,1-3H3/p+1
InChIKey
PZFJQEHSLANGIQ-UHFFFAOYSA-O
Compound name
(1,2-dimethylquinolin-1-ium-8-yl) N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.129 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13628 153.4
[M+Na]+ 268.11822 168.9
[M+NH4]+ 263.16282 162.5
[M+K]+ 284.09216 162.6
[M-H]- 244.12172 157.8
[M+Na-2H]- 266.10367 160.8
[M]+ 245.12845 157.2
[M]- 245.12955 157.2
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.