CID 25054

10213-77-1

Structural Information

Molecular Formula

C₁₀H₂₂O₄

SMILES

CC(CO)OCC(C)OCC(C)OC

InChI

InChI=1S/C10H22O4/c1-8(5-11)13-7-10(3)14-6-9(2)12-4/h8-11H,5-7H2,1-4H3

InChIKey

WAEVWDZKMBQDEJ-UHFFFAOYSA-N

Compound name

2-[2-(2-methoxypropoxy)propoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51176
Patents: 206.15181 Da
Monoisotopic Mass: 0.4
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]+	207.15909	148.5
[M+Na]+	229.14103	155.8
[M+NH4]+	224.18563	154.2
[M+K]+	245.11497	152.8
[M-H]-	205.14453	145.7
[M+Na-2H]-	227.12648	149.0
[M]+	206.15126	148.3
[M]-	206.15236	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe