CID 12554535

73776-18-8

Structural Information

Molecular Formula

C₁₁H₉NO₃

SMILES

COC(=O)C1=C(C=NC2=CC=CC=C21)O

InChI

InChI=1S/C11H9NO3/c1-15-11(14)10-7-4-2-3-5-8(7)12-6-9(10)13/h2-6,13H,1H3

InChIKey

NHVBBJBFKMAMEH-UHFFFAOYSA-N

Compound name

methyl 3-hydroxyquinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 203.05824 Da
Monoisotopic Mass: 2.2
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]+	204.06552	141.2
[M+Na]+	226.04746	155.1
[M+NH4]+	221.09206	149.2
[M+K]+	242.02140	149.2
[M-H]-	202.05096	142.6
[M+Na-2H]-	224.03291	147.8
[M]+	203.05769	143.5
[M]-	203.05879	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe