CID 59942373

1083168-68-6

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC(=O)C1=CC2=C(CCO2)C=C1

InChI

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

InChIKey

OVZHUVTYFSNMMA-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1-benzofuran-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 178.06299 Da
Monoisotopic Mass: 1.8
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]+	179.070266	134.7
[M+Na]+	201.052208	143.1
[M-H]-	177.055714	140.1
[M+NH4]+	196.096813	156.5
[M+K]+	217.026148	142.9
[M+H-H2O]+	161.060250	129.7
[M+HCOO]-	223.061191	157.2
[M+CH3COO]-	237.076841	178.6
[M+Na-2H]-	199.037656	141.2
[M]+	178.06244142	137.0
[M]-	178.06353858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe