CID 108407

59906-91-1

Structural Information

Molecular Formula

C₉H₁₆O₅

SMILES

COC1C=CC(O1)(C(OC)OC)OC

InChI

InChI=1S/C9H16O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h5-8H,1-4H3

InChIKey

GBNDEYSVQZWALX-UHFFFAOYSA-N

Compound name

5-(dimethoxymethyl)-2,5-dimethoxy-2H-furan

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 204.09978 Da
Monoisotopic Mass: 0.0
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]+	205.107056	140.9
[M+Na]+	227.088998	148.5
[M-H]-	203.092504	145.3
[M+NH4]+	222.133603	162.5
[M+K]+	243.062938	151.2
[M+H-H2O]+	187.097040	136.6
[M+HCOO]-	249.097981	163.9
[M+CH3COO]-	263.113631	183.4
[M+Na-2H]-	225.074446	146.7
[M]+	204.09923142	148.1
[M]-	204.10032858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe