CID 93111

27538-09-6

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CCC1=C(C(=O)C(O1)C)O

InChI

InChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h4,9H,3H2,1-2H3

InChIKey

QJYOEDXNPLUUAR-UHFFFAOYSA-N

Compound name

5-ethyl-4-hydroxy-2-methylfuran-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 1113
Patents: 142.06299 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]+	143.070266	125.3
[M+Na]+	165.052208	135.1
[M-H]-	141.055714	129.1
[M+NH4]+	160.096813	147.4
[M+K]+	181.026148	135.0
[M+H-H2O]+	125.060250	121.5
[M+HCOO]-	187.061191	148.2
[M+CH3COO]-	201.076841	171.7
[M+Na-2H]-	163.037656	130.1
[M]+	142.06244142	127.3
[M]-	142.06353858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe