CID 608330

3-hydroxy-7-methoxy-2-naphthoic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₄

SMILES

COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)O

InChI

InChI=1S/C12H10O4/c1-16-9-3-2-7-6-11(13)10(12(14)15)5-8(7)4-9/h2-6,13H,1H3,(H,14,15)

InChIKey

UDAQUPSJOGVPIX-UHFFFAOYSA-N

Compound name

3-hydroxy-7-methoxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 218.0579 Da
Monoisotopic Mass: 2.9
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]+	219.06518	144.2
[M+Na]+	241.04712	157.4
[M+NH4]+	236.09172	151.9
[M+K]+	257.02106	152.1
[M-H]-	217.05062	145.4
[M+Na-2H]-	239.03257	149.7
[M]+	218.05735	146.3
[M]-	218.05845	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe