CID 66637

3,5-dihydroxy-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₈O₄

SMILES

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

InChI

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

InChIKey

YELLAPKUWRTITI-UHFFFAOYSA-N

Compound name

3,5-dihydroxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 1253
Patents: 204.04225 Da
Monoisotopic Mass: 2.5
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]+	205.049526	139.0
[M+Na]+	227.031468	148.3
[M-H]-	203.034974	140.5
[M+NH4]+	222.076073	157.4
[M+K]+	243.005408	144.8
[M+H-H2O]+	187.039510	134.0
[M+HCOO]-	249.040451	158.3
[M+CH3COO]-	263.056101	179.2
[M+Na-2H]-	225.016916	144.9
[M]+	204.04170142	138.6
[M]-	204.04279858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe