CID 114012

Ar-18

Structural Information

Molecular Formula
C12H13N2O2
SMILES
CNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C
InChI
InChI=1S/C12H12N2O2/c1-13-12(15)16-10-7-3-5-9-6-4-8-14(2)11(9)10/h3-8H,1-2H3/p+1
InChIKey
UUXLREVNDVRGLL-UHFFFAOYSA-O
Compound name
(1-methylquinolin-1-ium-8-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.0977 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10498 147.0
[M+Na]+ 240.08692 155.4
[M-H]- 216.09042 150.9
[M+NH4]+ 235.13152 165.0
[M+K]+ 256.06086 147.3
[M+H-H2O]+ 200.09496 142.5
[M+HCOO]- 262.09590 169.5
[M+CH3COO]- 276.11155 183.3
[M+Na-2H]- 238.07237 157.0
[M]+ 217.09715 147.4
[M]- 217.09825 147.4
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.