CID 77091

3552-33-8

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

CCC1=C(C(=O)OC1=O)C

InChI

InChI=1S/C7H8O3/c1-3-5-4(2)6(8)10-7(5)9/h3H2,1-2H3

InChIKey

ZVUUAOZFEUKPLC-UHFFFAOYSA-N

Compound name

3-ethyl-4-methylfuran-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 248
Patents: 140.04735 Da
Monoisotopic Mass: 1.1
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]+	141.05463	125.5
[M+Na]+	163.03657	137.2
[M+NH4]+	158.08117	133.4
[M+K]+	179.01051	134.4
[M-H]-	139.04007	127.3
[M+Na-2H]-	161.02202	129.3
[M]+	140.04680	127.5
[M]-	140.04790	127.5

Literature stripe

literature stripe

Patent stripe

patents stripe