CID 121752

29911-27-1

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCOCC(C)OCC(C)O

InChI

InChI=1S/C9H20O3/c1-4-5-11-7-9(3)12-6-8(2)10/h8-10H,4-7H2,1-3H3

InChIKey

WEZPLQKRXDBPEP-UHFFFAOYSA-N

Compound name

1-(1-propoxypropan-2-yloxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 10370
Patents: 176.14125 Da
Monoisotopic Mass: 1.0
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]+	177.14853	141.3
[M+Na]+	199.13047	149.6
[M+NH4]+	194.17507	147.8
[M+K]+	215.10441	145.4
[M-H]-	175.13397	139.3
[M+Na-2H]-	197.11592	142.9
[M]+	176.14070	141.5
[M]-	176.14180	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe