CID 17936250

Dimethoxymethanol

Structural Information

Molecular Formula

C₃H₈O₃

SMILES

COC(O)OC

InChI

InChI=1S/C3H8O3/c1-5-3(4)6-2/h3-4H,1-2H3

InChIKey

IIGJYLXJNYBXEO-UHFFFAOYSA-N

Compound name

dimethoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1105
Patents: 92.04734 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]+	93.054616	114.8
[M+Na]+	115.036558	122.6
[M-H]-	91.040064	114.2
[M+NH4]+	110.081163	137.7
[M+K]+	131.010498	124.1
[M+H-H2O]+	75.044600	110.9
[M+HCOO]-	137.045541	137.8
[M+CH3COO]-	151.061191	162.2
[M+Na-2H]-	113.022006	121.7
[M]+	92.04679142	116.7
[M]-	92.04788858	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe