CID 10397638

56461-21-3

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC2=C(C=CC=C2C(=O)O)C(=O)C1

InChI

InChI=1S/C11H10O3/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1,4-5H,2-3,6H2,(H,13,14)

InChIKey

RXCHZIBXSFNHPN-UHFFFAOYSA-N

Compound name

5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	136.8
[M+Na]+	213.05221	144.4
[M-H]-	189.05571	140.0
[M+NH4]+	208.09681	156.8
[M+K]+	229.02615	141.7
[M+H-H2O]+	173.06025	131.4
[M+HCOO]-	235.06119	156.3
[M+CH3COO]-	249.07684	180.5
[M+Na-2H]-	211.03766	142.3
[M]+	190.06244	134.6
[M]-	190.06354	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe