CID 93718

Einecs 260-813-3

Structural Information

Molecular Formula

C₉H₂₂N₂O₂

SMILES

CN(C)CCCN(CCO)CCO

InChI

InChI=1S/C9H22N2O2/c1-10(2)4-3-5-11(6-8-12)7-9-13/h12-13H,3-9H2,1-2H3

InChIKey

RDOJBMGPKKSKCQ-UHFFFAOYSA-N

Compound name

2-[3-(dimethylamino)propyl-(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 190.16812 Da
Monoisotopic Mass: -0.7
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]+	191.17540	147.8
[M+Na]+	213.15734	151.4
[M-H]-	189.16084	147.4
[M+NH4]+	208.20194	166.7
[M+K]+	229.13128	152.2
[M+H-H2O]+	173.16538	141.5
[M+HCOO]-	235.16632	171.0
[M+CH3COO]-	249.18197	191.7
[M+Na-2H]-	211.14279	151.0
[M]+	190.16757	150.0
[M]-	190.16867	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe