CID 114014

63680-79-5

Structural Information

Molecular Formula
C13H19N2O2
SMILES
CNC(=O)OC1=CC=CC2=C1[N+](CCC2)(C)C
InChI
InChI=1S/C13H18N2O2/c1-14-13(16)17-11-8-4-6-10-7-5-9-15(2,3)12(10)11/h4,6,8H,5,7,9H2,1-3H3/p+1
InChIKey
YDPIWQATJRGNES-UHFFFAOYSA-O
Compound name
(1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-8-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.14465 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.15193 151.2
[M+Na]+ 258.13387 165.0
[M+NH4]+ 253.17847 162.1
[M+K]+ 274.10781 157.2
[M-H]- 234.13737 155.3
[M+Na-2H]- 256.11932 159.0
[M]+ 235.14410 154.8
[M]- 235.14520 154.8
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.