CID 11019409

76570-83-7

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1C(C2=CC=CC=C2O1)CC(=O)O

InChI

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

InChIKey

AZSBJYPMXMQJTA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 94
Patents: 178.06299 Da
Monoisotopic Mass: 1.2
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

literature stripe

Patent stripe

patents stripe