CID 3033323

65057-97-8

Structural Information

Molecular Formula

C₉H₁₈O₅

SMILES

COC1CCC(O1)(C(OC)OC)OC

InChI

InChI=1S/C9H18O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h7-8H,5-6H2,1-4H3

InChIKey

UYPVDAPQHYMIRL-UHFFFAOYSA-N

Compound name

2-(dimethoxymethyl)-2,5-dimethoxyoxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 206.11542 Da
Monoisotopic Mass: 0.3
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]+	207.12270	142.7
[M+Na]+	229.10464	149.3
[M-H]-	205.10814	146.7
[M+NH4]+	224.14924	164.2
[M+K]+	245.07858	152.1
[M+H-H2O]+	189.11268	138.5
[M+HCOO]-	251.11362	164.3
[M+CH3COO]-	265.12927	183.8
[M+Na-2H]-	227.09009	147.6
[M]+	206.11487	148.5
[M]-	206.11597	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe