CID 12623432

76088-46-5

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

COCCCN(CCO)CCO

InChI

InChI=1S/C8H19NO3/c1-12-8-2-3-9(4-6-10)5-7-11/h10-11H,2-8H2,1H3

InChIKey

WWFSTEZXAGUMLJ-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(3-methoxypropyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 177.13649 Da
Monoisotopic Mass: -0.9
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]+	178.143766	141.8
[M+Na]+	200.125708	146.6
[M-H]-	176.129214	140.2
[M+NH4]+	195.170313	161.0
[M+K]+	216.099648	146.7
[M+H-H2O]+	160.133750	136.2
[M+HCOO]-	222.134691	164.2
[M+CH3COO]-	236.150341	182.2
[M+Na-2H]-	198.111156	146.2
[M]+	177.13594142	144.8
[M]-	177.13703858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe