CID 2818493

5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC2=C(C=CC(=C2)C(=O)O)C(=O)C1

InChI

InChI=1S/C11H10O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6H,1-3H2,(H,13,14)

InChIKey

QSQVJZPPZDEILK-UHFFFAOYSA-N

Compound name

5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 153
Patents: 190.06299 Da
Monoisotopic Mass: 1.5
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]+	191.07027	138.2
[M+Na]+	213.05221	150.5
[M+NH4]+	208.09681	146.7
[M+K]+	229.02615	144.8
[M-H]-	189.05571	139.8
[M+Na-2H]-	211.03766	143.4
[M]+	190.06244	140.3
[M]-	190.06354	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe