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	125.6
[M+Na]+	165.05221	137.5
[M+NH4]+	160.09681	133.7
[M+K]+	181.02615	135.1
[M-H]-	141.05571	127.6
[M+Na-2H]-	163.03766	130.0
[M]+	142.06244	127.8
[M]-	142.06354	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe