CID 70161

3-methoxy-2-naphthoic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)O

InChI

InChI=1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)

InChIKey

RTBQQRFTCVDODF-UHFFFAOYSA-N

Compound name

3-methoxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 495
Patents: 202.06299 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]+	203.07027	140.8
[M+Na]+	225.05221	154.7
[M+NH4]+	220.09681	149.5
[M+K]+	241.02615	148.4
[M-H]-	201.05571	143.0
[M+Na-2H]-	223.03766	147.6
[M]+	202.06244	143.4
[M]-	202.06354	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe