CID 3054511

1-allyl-8-hydroxyquinolinium bromide methylcarbamate

Structural Information

Molecular Formula
C14H15N2O2
SMILES
CNC(=O)OC1=CC=CC2=C1[N+](=CC=C2)CC=C
InChI
InChI=1S/C14H14N2O2/c1-3-9-16-10-5-7-11-6-4-8-12(13(11)16)18-14(17)15-2/h3-8,10H,1,9H2,2H3/p+1
InChIKey
UKXFEPOFBJQIMY-UHFFFAOYSA-O
Compound name
(1-prop-2-enylquinolin-1-ium-8-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11336 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12064 155.3
[M+Na]+ 266.10258 163.1
[M-H]- 242.10608 158.9
[M+NH4]+ 261.14718 172.2
[M+K]+ 282.07652 153.9
[M+H-H2O]+ 226.11062 150.5
[M+HCOO]- 288.11156 177.4
[M+CH3COO]- 302.12721 188.4
[M+Na-2H]- 264.08803 164.3
[M]+ 243.11281 155.7
[M]- 243.11391 155.7
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.