CID 3048837

Tetramethoquin methiodide

Structural Information

Molecular Formula
C14H21N2O2
SMILES
CN(C)C(=O)OC1=CC=CC2=C1[N+](CCC2)(C)C
InChI
InChI=1S/C14H21N2O2/c1-15(2)14(17)18-12-9-5-7-11-8-6-10-16(3,4)13(11)12/h5,7,9H,6,8,10H2,1-4H3/q+1
InChIKey
QYIYYHXGUQLLRU-UHFFFAOYSA-N
Compound name
(1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-8-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.16031 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16759 155.4
[M+Na]+ 272.14953 161.9
[M-H]- 248.15303 159.9
[M+NH4]+ 267.19413 174.9
[M+K]+ 288.12347 155.2
[M+H-H2O]+ 232.15757 151.2
[M+HCOO]- 294.15851 174.7
[M+CH3COO]- 308.17416 193.0
[M+Na-2H]- 270.13498 162.8
[M]+ 249.15976 154.7
[M]- 249.16086 154.7
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.