CID 5063080

352530-38-2

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCOC(=O)C1=CC=C(O1)C

InChI

InChI=1S/C8H10O3/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3

InChIKey

CDQUPTICIPKERO-UHFFFAOYSA-N

Compound name

ethyl 5-methylfuran-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 157
Patents: 154.06299 Da
Monoisotopic Mass: 1.9
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]+	155.07027	130.3
[M+Na]+	177.05221	141.5
[M+NH4]+	172.09681	138.2
[M+K]+	193.02615	138.8
[M-H]-	153.05571	132.2
[M+Na-2H]-	175.03766	134.9
[M]+	154.06244	132.3
[M]-	154.06354	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe