CID 114016

T-1937

Structural Information

Molecular Formula
C13H19N2O2
SMILES
CNC(=O)OC1=CC2=C(CCC[N+]2(C)C)C=C1
InChI
InChI=1S/C13H18N2O2/c1-14-13(16)17-11-7-6-10-5-4-8-15(2,3)12(10)9-11/h6-7,9H,4-5,8H2,1-3H3/p+1
InChIKey
NLXLQSUWVKDISY-UHFFFAOYSA-O
Compound name
(1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-7-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 151.4
[M+Na]+ 258.13387 158.3
[M-H]- 234.13737 154.7
[M+NH4]+ 253.17847 170.8
[M+K]+ 274.10781 150.4
[M+H-H2O]+ 218.14191 147.6
[M+HCOO]- 280.14285 170.6
[M+CH3COO]- 294.15850 186.5
[M+Na-2H]- 256.11932 160.1
[M]+ 235.14410 149.2
[M]- 235.14520 149.2
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.