CID 90772

22414-24-0

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC1(C=CC(O1)OC)OC

InChI

InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3

InChIKey

ODARVONGEVVSAG-UHFFFAOYSA-N

Compound name

2,5-dimethoxy-5-methyl-2H-furan

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 88
Patents: 144.07864 Da
Monoisotopic Mass: 0.5
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]+	145.08592	127.1
[M+Na]+	167.06786	138.0
[M+NH4]+	162.11246	136.9
[M+K]+	183.04180	133.3
[M-H]-	143.07136	129.3
[M+Na-2H]-	165.05331	133.2
[M]+	144.07809	129.3
[M]-	144.07919	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe