CID 21972006

2-[(4-amino-butyl)-(2-hydroxy-ethyl)-amino]-ethanol

Structural Information

Molecular Formula

C₈H₂₀N₂O₂

SMILES

C(CCN(CCO)CCO)CN

InChI

InChI=1S/C8H20N2O2/c9-3-1-2-4-10(5-7-11)6-8-12/h11-12H,1-9H2

InChIKey

GSCUXTICYWCTQP-UHFFFAOYSA-N

Compound name

2-[4-aminobutyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 176.15248 Da
Monoisotopic Mass: -1.3
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]+	177.15976	142.7
[M+Na]+	199.14170	146.5
[M-H]-	175.14520	140.4
[M+NH4]+	194.18630	161.2
[M+K]+	215.11564	145.8
[M+H-H2O]+	159.14974	136.7
[M+HCOO]-	221.15068	165.1
[M+CH3COO]-	235.16633	184.6
[M+Na-2H]-	197.12715	146.1
[M]+	176.15193	142.3
[M]-	176.15303	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe