CID 88017

8-quinolyl methacrylate

Structural Information

Molecular Formula
C13H11NO2
SMILES
CC(=C)C(=O)OC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H11NO2/c1-9(2)13(15)16-11-7-3-5-10-6-4-8-14-12(10)11/h3-8H,1H2,2H3
InChIKey
WOCXVYHJGQMHTR-UHFFFAOYSA-N
Compound name
quinolin-8-yl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

213.07898 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.086256 145.2
[M+Na]+ 236.068198 153.3
[M-H]- 212.071704 148.5
[M+NH4]+ 231.112803 163.5
[M+K]+ 252.042138 150.3
[M+H-H2O]+ 196.076240 138.2
[M+HCOO]- 258.077181 165.9
[M+CH3COO]- 272.092831 188.0
[M+Na-2H]- 234.053646 151.6
[M]+ 213.07843142 146.4
[M]- 213.07952858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe