CID 57357911

Propanol, (2-ethoxymethylethoxy)-

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCC(O)OCCCOCC

InChI

InChI=1S/C8H18O3/c1-3-8(9)11-7-5-6-10-4-2/h8-9H,3-7H2,1-2H3

InChIKey

GEZOSPWWMQDYMS-UHFFFAOYSA-N

Compound name

1-(3-ethoxypropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 110
Patents: 162.1256 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]+	163.13288	138.2
[M+Na]+	185.11482	143.9
[M-H]-	161.11832	136.7
[M+NH4]+	180.15942	158.4
[M+K]+	201.08876	144.1
[M+H-H2O]+	145.12286	133.3
[M+HCOO]-	207.12380	159.6
[M+CH3COO]-	221.13945	177.3
[M+Na-2H]-	183.10027	142.4
[M]+	162.12505	142.0
[M]-	162.12615	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe