CID 44182304

2-hydroxy-5-methyl-1-naphthoate

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

CC1=C2C=CC(=C(C2=CC=C1)C(=O)O)O

InChI

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

InChIKey

KKMAZNUSFFWQQY-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methylnaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 202.06299 Da
Monoisotopic Mass: 3.3
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]+	203.070266	140.1
[M+Na]+	225.052208	149.5
[M-H]-	201.055714	142.9
[M+NH4]+	220.096813	159.5
[M+K]+	241.026148	146.0
[M+H-H2O]+	185.060250	134.9
[M+HCOO]-	247.061191	160.4
[M+CH3COO]-	261.076841	182.4
[M+Na-2H]-	223.037656	145.9
[M]+	202.06244142	140.4
[M]-	202.06353858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe