CID 104470

53334-09-1

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CN(C)CCCNCCO

InChI

InChI=1S/C7H18N2O/c1-9(2)6-3-4-8-5-7-10/h8,10H,3-7H2,1-2H3

InChIKey

DTZQQHRKVWXQPP-UHFFFAOYSA-N

Compound name

2-[3-(dimethylamino)propylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 753
Patents: 146.1419 Da
Monoisotopic Mass: -0.5
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]+	147.149176	135.1
[M+Na]+	169.131118	139.8
[M-H]-	145.134624	135.0
[M+NH4]+	164.175723	155.9
[M+K]+	185.105058	140.2
[M+H-H2O]+	129.139160	129.4
[M+HCOO]-	191.140101	159.7
[M+CH3COO]-	205.155751	182.7
[M+Na-2H]-	167.116566	140.6
[M]+	146.14135142	135.8
[M]-	146.14244858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe