CID 25202628

Mesifurane (enol form)

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

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

InChI

InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h8H,1-3H3

InChIKey

DFXVSSDSXIHULO-UHFFFAOYSA-N

Compound name

4-methoxy-2,5-dimethylfuran-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 48
Patents: 142.06299 Da
Monoisotopic Mass: 1.4
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]+	143.07027	124.7
[M+Na]+	165.05221	135.2
[M-H]-	141.05571	128.8
[M+NH4]+	160.09681	147.0
[M+K]+	181.02615	135.5
[M+H-H2O]+	125.06025	120.7
[M+HCOO]-	187.06119	148.9
[M+CH3COO]-	201.07684	172.2
[M+Na-2H]-	163.03766	130.4
[M]+	142.06244	128.8
[M]-	142.06354	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe