CID 14509443

123990-79-4

Structural Information

Molecular Formula

C₁₁H₈N₂O₂

SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)C#N

InChI

InChI=1S/C11H8N2O2/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(14)13-10/h2-5H,1H3,(H,13,14)

InChIKey

YGUXGTBWQYMRDL-UHFFFAOYSA-N

Compound name

6-methoxy-2-oxo-1H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 200.05858 Da
Monoisotopic Mass: 1.2
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]+	201.06586	143.9
[M+Na]+	223.04780	157.7
[M+NH4]+	218.09240	148.5
[M+K]+	239.02174	147.9
[M-H]-	199.05130	138.3
[M+Na-2H]-	221.03325	147.8
[M]+	200.05803	143.4
[M]-	200.05913	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe