CID 3054507

8-hydroxy-1-methylquinolinium iodide propylcarbamate

Structural Information

Molecular Formula
C14H17N2O2
SMILES
CCCNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C
InChI
InChI=1S/C14H16N2O2/c1-3-9-15-14(17)18-12-8-4-6-11-7-5-10-16(2)13(11)12/h4-8,10H,3,9H2,1-2H3/p+1
InChIKey
SCFIZYSGBGYFHM-UHFFFAOYSA-O
Compound name
(1-methylquinolin-1-ium-8-yl) N-propylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.129 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13628 156.6
[M+Na]+ 268.11822 164.1
[M-H]- 244.12172 160.1
[M+NH4]+ 263.16282 173.4
[M+K]+ 284.09216 155.5
[M+H-H2O]+ 228.12626 151.6
[M+HCOO]- 290.12720 178.4
[M+CH3COO]- 304.14285 189.4
[M+Na-2H]- 266.10367 165.5
[M]+ 245.12845 157.7
[M]- 245.12955 157.7
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.