CID 13628003

15764-24-6

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCOC(C)COC(C)CO

InChI

InChI=1S/C8H18O3/c1-4-10-8(3)6-11-7(2)5-9/h7-9H,4-6H2,1-3H3

InChIKey

MTVLEKBQSDTQGO-UHFFFAOYSA-N

Compound name

2-(2-ethoxypropoxy)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14814
Patents: 162.1256 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]+	163.13288	136.8
[M+Na]+	185.11482	145.4
[M+NH4]+	180.15942	143.6
[M+K]+	201.08876	141.5
[M-H]-	161.11832	134.9
[M+Na-2H]-	183.10027	138.8
[M]+	162.12505	137.2
[M]-	162.12615	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe