CID 25733

4,8,12-trioxatridecan-1-ol

Structural Information

Molecular Formula

C₁₀H₂₂O₄

SMILES

COCCCOCCCOCCCO

InChI

InChI=1S/C10H22O4/c1-12-6-3-8-14-10-4-9-13-7-2-5-11/h11H,2-10H2,1H3

InChIKey

GRTBNOKQBKPUGM-UHFFFAOYSA-N

Compound name

3-[3-(3-methoxypropoxy)propoxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 206.15181 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]+	207.15909	148.1
[M+Na]+	229.14103	156.3
[M+NH4]+	224.18563	154.1
[M+K]+	245.11497	150.9
[M-H]-	205.14453	145.9
[M+Na-2H]-	227.12648	149.7
[M]+	206.15126	148.2
[M]-	206.15236	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe