CID 54341590

2-propenoic acid, 2-methyl-, (8-hydroxy-5-quinolinyl)methyl ester

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC(=C)C(=O)OCC1=C2C=CC=NC2=C(C=C1)O

InChI

InChI=1S/C14H13NO3/c1-9(2)14(17)18-8-10-5-6-12(16)13-11(10)4-3-7-15-13/h3-7,16H,1,8H2,2H3

InChIKey

TZIDYWKSHYOTRF-UHFFFAOYSA-N

Compound name

(8-hydroxyquinolin-5-yl)methyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 243.08954 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.096816	153.2
[M+Na]+	266.078758	161.2
[M-H]-	242.082264	155.2
[M+NH4]+	261.123363	169.7
[M+K]+	282.052698	157.8
[M+H-H2O]+	226.086800	146.2
[M+HCOO]-	288.087741	172.2
[M+CH3COO]-	302.103391	191.8
[M+Na-2H]-	264.064206	157.9
[M]+	243.08899142	154.7
[M]-	243.09008858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe