CID 415283

10563-27-6

Structural Information

Molecular Formula

C₇H₁₈N₂O₂

SMILES

C(CNCCO)CNCCO

InChI

InChI=1S/C7H18N2O2/c10-6-4-8-2-1-3-9-5-7-11/h8-11H,1-7H2

InChIKey

XDSBMMZQOKZFQI-UHFFFAOYSA-N

Compound name

2-[3-(2-hydroxyethylamino)propylamino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 162.13683 Da
Monoisotopic Mass: -1.5
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]+	163.14411	136.4
[M+Na]+	185.12605	143.0
[M+NH4]+	180.17065	142.6
[M+K]+	201.09999	138.4
[M-H]-	161.12955	135.2
[M+Na-2H]-	183.11150	138.5
[M]+	162.13628	136.4
[M]-	162.13738	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe