CID 104276767

Methyl 5-ethynylfuran-2-carboxylate

Structural Information

Molecular Formula

C₈H₆O₃

SMILES

COC(=O)C1=CC=C(O1)C#C

InChI

InChI=1S/C8H6O3/c1-3-6-4-5-7(11-6)8(9)10-2/h1,4-5H,2H3

InChIKey

CRULIDQWOUHHAE-UHFFFAOYSA-N

Compound name

methyl 5-ethynylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.0317 Da
Monoisotopic Mass: 1.5
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]+	151.03898	127.7
[M+Na]+	173.02092	139.0
[M+NH4]+	168.06552	132.0
[M+K]+	188.99486	133.1
[M-H]-	149.02442	121.3
[M+Na-2H]-	171.00637	129.7
[M]+	150.03115	126.6
[M]-	150.03225	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.