CID 140180

1,3-dimethoxypropane

Structural Information

Molecular Formula

C₅H₁₂O₂

SMILES

COCCCOC

InChI

InChI=1S/C5H12O2/c1-6-4-3-5-7-2/h3-5H2,1-2H3

InChIKey

UUAMLBIYJDPGFU-UHFFFAOYSA-N

Compound name

1,3-dimethoxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 8296
Patents: 104.08373 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]+	105.09101	119.4
[M+Na]+	127.07295	130.3
[M+NH4]+	122.11755	127.9
[M+K]+	143.04689	124.6
[M-H]-	103.07645	119.1
[M+Na-2H]-	125.05840	124.0
[M]+	104.08318	120.7
[M]-	104.08428	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe