CID 249902

2-(3-aminopropoxy)ethanol

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

C(CN)COCCO

InChI

InChI=1S/C5H13NO2/c6-2-1-4-8-5-3-7/h7H,1-6H2

InChIKey

SQFCBBLSKSECMB-UHFFFAOYSA-N

Compound name

2-(3-aminopropoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 375
Patents: 119.09463 Da
Monoisotopic Mass: -1.2
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]+	120.10191	123.7
[M+Na]+	142.08385	132.4
[M+NH4]+	137.12845	131.1
[M+K]+	158.05779	127.7
[M-H]-	118.08735	122.9
[M+Na-2H]-	140.06930	126.8
[M]+	119.09408	124.3
[M]-	119.09518	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe