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]+ 218.104976 147.0
[M+Na]+ 240.086918 155.4
[M-H]- 216.090424 150.9
[M+NH4]+ 235.131523 165.0
[M+K]+ 256.060858 147.3
[M+H-H2O]+ 200.094960 142.5
[M+HCOO]- 262.095901 169.5
[M+CH3COO]- 276.111551 183.3
[M+Na-2H]- 238.072366 157.0
[M]+ 217.09715142 147.4
[M]- 217.09824858 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.