CID 17039609

892874-65-6

Structural Information

Molecular Formula

C₁₄H₁₅NO₂

SMILES

CCOC(=O)C1=C(N=C2C=C(C=CC2=C1)C)C

InChI

InChI=1S/C14H15NO2/c1-4-17-14(16)12-8-11-6-5-9(2)7-13(11)15-10(12)3/h5-8H,4H2,1-3H3

InChIKey

XECUIRQNZBISJF-UHFFFAOYSA-N

Compound name

ethyl 2,7-dimethylquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.11028 Da
Monoisotopic Mass: 3.2
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]+	230.117556	150.6
[M+Na]+	252.099498	160.1
[M-H]-	228.103004	154.3
[M+NH4]+	247.144103	169.0
[M+K]+	268.073438	157.1
[M+H-H2O]+	212.107540	143.6
[M+HCOO]-	274.108481	171.7
[M+CH3COO]-	288.124131	193.3
[M+Na-2H]-	250.084946	156.2
[M]+	229.10973142	154.2
[M]-	229.11082858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.