CID 3054525

8-hydroxy-1-methylquinaldinium iodide methylcarbamate

Structural Information

Molecular Formula
C13H15N2O2
SMILES
CC1=[N+](C2=C(C=CC=C2OC(=O)NC)C=C1)C
InChI
InChI=1S/C13H14N2O2/c1-9-7-8-10-5-4-6-11(12(10)15(9)3)17-13(16)14-2/h4-8H,1-3H3/p+1
InChIKey
SNWVGXUFRQDQFI-UHFFFAOYSA-O
Compound name
(1,2-dimethylquinolin-1-ium-8-yl) N-methylcarbamate
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]+ 232.120636 151.5
[M+Na]+ 254.102578 160.5
[M-H]- 230.106084 155.7
[M+NH4]+ 249.147183 169.3
[M+K]+ 270.076518 152.2
[M+H-H2O]+ 214.110620 147.1
[M+HCOO]- 276.111561 173.7
[M+CH3COO]- 290.127211 187.5
[M+Na-2H]- 252.088026 160.3
[M]+ 231.11281142 152.7
[M]- 231.11390858 152.7
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.