CID 85087

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

Structural Information

Molecular Formula

C₈H₁₈O₃

SMILES

CCOCCCOCCCO

InChI

InChI=1S/C8H18O3/c1-2-10-7-4-8-11-6-3-5-9/h9H,2-8H2,1H3

InChIKey

VKCROHJIGLNYSC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 162.1256 Da
Monoisotopic Mass: 0.3
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	137.5
[M+Na]+	185.11482	143.4
[M-H]-	161.11832	135.9
[M+NH4]+	180.15942	157.7
[M+K]+	201.08876	143.2
[M+H-H2O]+	145.12286	132.5
[M+HCOO]-	207.12380	159.9
[M+CH3COO]-	221.13945	176.5
[M+Na-2H]-	183.10027	143.0
[M]+	162.12505	142.0
[M]-	162.12615	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe