CID 67697917

152149-94-5

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1COC2=C1C=CC=C2CC(=O)O

InChI

InChI=1S/C10H10O3/c11-9(12)6-8-3-1-2-7-4-5-13-10(7)8/h1-3H,4-6H2,(H,11,12)

InChIKey

VQYFAHDGHVJYPD-UHFFFAOYSA-N

Compound name

2-(2,3-dihydro-1-benzofuran-7-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.06299 Da
Monoisotopic Mass: 1.4
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	135.1
[M+Na]+	201.05221	142.9
[M-H]-	177.05571	139.1
[M+NH4]+	196.09681	156.0
[M+K]+	217.02615	141.8
[M+H-H2O]+	161.06025	130.3
[M+HCOO]-	223.06119	156.0
[M+CH3COO]-	237.07684	176.7
[M+Na-2H]-	199.03766	141.2
[M]+	178.06244	135.6
[M]-	178.06354	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe