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]+ 244.120636 155.3
[M+Na]+ 266.102578 163.1
[M-H]- 242.106084 158.9
[M+NH4]+ 261.147183 172.2
[M+K]+ 282.076518 153.9
[M+H-H2O]+ 226.110620 150.5
[M+HCOO]- 288.111561 177.4
[M+CH3COO]- 302.127211 188.4
[M+Na-2H]- 264.088026 164.3
[M]+ 243.11281142 155.7
[M]- 243.11390858 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.