CID 2451322

(2e)-3-(2-methoxyquinolin-3-yl)acrylic acid

Structural Information

Molecular Formula
C13H11NO3
SMILES
COC1=NC2=CC=CC=C2C=C1/C=C/C(=O)O
InChI
InChI=1S/C13H11NO3/c1-17-13-10(6-7-12(15)16)8-9-4-2-3-5-11(9)14-13/h2-8H,1H3,(H,15,16)/b7-6+
InChIKey
FYWLPUONLPZDPD-VOTSOKGWSA-N
Compound name
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 149.5
[M+Na]+ 252.06312 163.0
[M+NH4]+ 247.10772 156.9
[M+K]+ 268.03706 156.5
[M-H]- 228.06662 150.5
[M+Na-2H]- 250.04857 155.4
[M]+ 229.07335 151.6
[M]- 229.07445 151.6
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

No patent data available for this compound.