CID 9102272

2415114-73-5

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

CC1=C(C=C(O1)/C=C/C(=O)O)C(=O)OC

InChI

InChI=1S/C10H10O5/c1-6-8(10(13)14-2)5-7(15-6)3-4-9(11)12/h3-5H,1-2H3,(H,11,12)/b4-3+

InChIKey

YSASBCPSKJYHQL-ONEGZZNKSA-N

Compound name

(E)-3-(4-methoxycarbonyl-5-methylfuran-2-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 210.05283 Da
Monoisotopic Mass: 1.2
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]+	211.06011	142.3
[M+Na]+	233.04205	150.9
[M-H]-	209.04555	145.9
[M+NH4]+	228.08665	161.1
[M+K]+	249.01599	150.7
[M+H-H2O]+	193.05009	137.5
[M+HCOO]-	255.05103	164.6
[M+CH3COO]-	269.06668	182.3
[M+Na-2H]-	231.02750	144.7
[M]+	210.05228	146.5
[M]-	210.05338	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.