CID 19098421

2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1C2=C(CO1)C=C(C=C2)CC(=O)O

InChI

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

InChIKey

LBKSMTNZFNZDPQ-UHFFFAOYSA-N

Compound name

2-(1,3-dihydro-2-benzofuran-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 178.06299 Da
Monoisotopic Mass: 0.6
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]+	179.070266	135.1
[M+Na]+	201.052208	142.9
[M-H]-	177.055714	139.1
[M+NH4]+	196.096813	156.0
[M+K]+	217.026148	141.8
[M+H-H2O]+	161.060250	130.3
[M+HCOO]-	223.061191	156.0
[M+CH3COO]-	237.076841	176.7
[M+Na-2H]-	199.037656	141.2
[M]+	178.06244142	135.6
[M]-	178.06353858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe