CID 14278030

1,4-dihydroxy-6-naphthoate

Structural Information

Molecular Formula

C₁₁H₈O₄

SMILES

C1=CC2=C(C=CC(=C2C=C1C(=O)O)O)O

InChI

InChI=1S/C11H8O4/c12-9-3-4-10(13)8-5-6(11(14)15)1-2-7(8)9/h1-5,12-13H,(H,14,15)

InChIKey

HVZYIHBMRFYBRI-UHFFFAOYSA-N

Compound name

5,8-dihydroxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 60
Patents: 204.04225 Da
Monoisotopic Mass: 2.0
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]+	205.04953	140.1
[M+Na]+	227.03147	153.0
[M+NH4]+	222.07607	147.7
[M+K]+	243.00541	148.3
[M-H]-	203.03497	140.9
[M+Na-2H]-	225.01692	145.2
[M]+	204.04170	142.0
[M]-	204.04280	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe