CID 3016728

6-hydroxy-2-naphthaleneacetic acid

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

C1=CC2=C(C=CC(=C2)O)C=C1CC(=O)O

InChI

InChI=1S/C12H10O3/c13-11-4-3-9-5-8(6-12(14)15)1-2-10(9)7-11/h1-5,7,13H,6H2,(H,14,15)

InChIKey

YNECZMXVHIGGSP-UHFFFAOYSA-N

Compound name

2-(6-hydroxynaphthalen-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 47
Patents: 202.06299 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]+	203.07027	140.6
[M+Na]+	225.05221	149.0
[M-H]-	201.05571	142.9
[M+NH4]+	220.09681	159.6
[M+K]+	241.02615	145.4
[M+H-H2O]+	185.06025	135.1
[M+HCOO]-	247.06119	160.9
[M+CH3COO]-	261.07684	181.2
[M+Na-2H]-	223.03766	147.0
[M]+	202.06244	140.4
[M]-	202.06354	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe