CID 14455226

89399-28-0

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CC(COC)OCC(C)OC

InChI

InChI=1S/C8H18O3/c1-7(10-4)6-11-8(2)5-9-3/h7-8H,5-6H2,1-4H3

InChIKey

OQUIHNRSFOIOFU-UHFFFAOYSA-N

Compound name

1-methoxy-2-(2-methoxypropoxy)propane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 21587
Patents: 162.1256 Da
Monoisotopic Mass: 0.2
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]+	163.132876	137.7
[M+Na]+	185.114818	143.7
[M-H]-	161.118324	137.8
[M+NH4]+	180.159423	158.6
[M+K]+	201.088758	145.3
[M+H-H2O]+	145.122860	132.7
[M+HCOO]-	207.123801	159.7
[M+CH3COO]-	221.139451	180.9
[M+Na-2H]-	183.100266	141.2
[M]+	162.12505142	142.9
[M]-	162.12614858	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe