CID 45116477

288839-18-9

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

COC(=O)C1=CCOC1

InChI

InChI=1S/C6H8O3/c1-8-6(7)5-2-3-9-4-5/h2H,3-4H2,1H3

InChIKey

VHFWPMYLBNXJBG-UHFFFAOYSA-N

Compound name

methyl 2,5-dihydrofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 128.04735 Da
Monoisotopic Mass: -0.1
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]+	129.054626	122.8
[M+Na]+	151.036568	130.4
[M-H]-	127.040074	127.1
[M+NH4]+	146.081173	145.2
[M+K]+	167.010508	132.0
[M+H-H2O]+	111.044610	118.1
[M+HCOO]-	173.045551	146.6
[M+CH3COO]-	187.061201	168.0
[M+Na-2H]-	149.022016	129.2
[M]+	128.04680142	124.4
[M]-	128.04789858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe