CID 363441

Nsc628352

Structural Information

Molecular Formula

C₁₂H₁₀O₃

SMILES

CC1=C(C2=CC=CC=C2C(=O)C1=O)OC

InChI

InChI=1S/C12H10O3/c1-7-10(13)11(14)8-5-3-4-6-9(8)12(7)15-2/h3-6H,1-2H3

InChIKey

FPONCXPOHFZPCV-UHFFFAOYSA-N

Compound name

4-methoxy-3-methylnaphthalene-1,2-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.06299 Da
Monoisotopic Mass: 1.6
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	138.1
[M+Na]+	225.05221	148.8
[M-H]-	201.05571	143.7
[M+NH4]+	220.09681	159.1
[M+K]+	241.02615	146.2
[M+H-H2O]+	185.06025	132.5
[M+HCOO]-	247.06119	161.2
[M+CH3COO]-	261.07684	187.3
[M+Na-2H]-	223.03766	144.5
[M]+	202.06244	141.0
[M]-	202.06354	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.