CID 86302

1-methoxy-3-(3-methoxypropoxy)propane

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

COCCCOCCCOC

InChI

InChI=1S/C8H18O3/c1-9-5-3-7-11-8-4-6-10-2/h3-8H2,1-2H3

InChIKey

KWDCKLXGUZOEGM-UHFFFAOYSA-N

Compound name

1-methoxy-3-(3-methoxypropoxy)propane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 1634
Patents: 162.1256 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]+	163.132876	136.8
[M+Na]+	185.114818	143.1
[M-H]-	161.118324	136.7
[M+NH4]+	180.159423	157.8
[M+K]+	201.088758	143.9
[M+H-H2O]+	145.122860	131.6
[M+HCOO]-	207.123801	160.7
[M+CH3COO]-	221.139451	179.2
[M+Na-2H]-	183.100266	142.9
[M]+	162.12505142	143.3
[M]-	162.12614858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe