CID 2402161

32730-10-2

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C14H10O3/c1-8-10-7-6-9-4-2-3-5-11(9)13(10)17-12(8)14(15)16/h2-7H,1H3,(H,15,16)

InChIKey

SEJNPUWLTFUDAI-UHFFFAOYSA-N

Compound name

3-methylbenzo[g][1]benzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2
Patents: 226.06299 Da
Monoisotopic Mass: 3.8
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]+	227.07027	145.5
[M+Na]+	249.05221	160.6
[M+NH4]+	244.09681	154.8
[M+K]+	265.02615	155.9
[M-H]-	225.05571	149.5
[M+Na-2H]-	247.03766	151.4
[M]+	226.06244	148.9
[M]-	226.06354	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe