CID 2451322

565206-91-9

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]+ 230.081176 148.6
[M+Na]+ 252.063118 157.4
[M-H]- 228.066624 150.7
[M+NH4]+ 247.107723 165.8
[M+K]+ 268.037058 153.6
[M+H-H2O]+ 212.071160 141.7
[M+HCOO]- 274.072101 169.0
[M+CH3COO]- 288.087751 187.8
[M+Na-2H]- 250.048566 155.0
[M]+ 229.07335142 150.3
[M]- 229.07444858 150.3
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.