CID 647255

103204-80-4

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC1CC2=C(O1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)

InChIKey

NXNQXQFRCVUXIN-UHFFFAOYSA-N

Compound name

2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 12
Patents: 178.06299 Da
Monoisotopic Mass: 1.9
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]+	179.07027	135.0
[M+Na]+	201.05221	146.7
[M+NH4]+	196.09681	143.5
[M+K]+	217.02615	143.7
[M-H]-	177.05571	137.4
[M+Na-2H]-	199.03766	138.9
[M]+	178.06244	137.2
[M]-	178.06354	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe