CID 11434970

N-(2-hydroxyethyl)-n-methyl-1,3-propanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CN(CCCN)CCO

InChI

InChI=1S/C6H16N2O/c1-8(5-6-9)4-2-3-7/h9H,2-7H2,1H3

InChIKey

UOQYWMZLTNEIFI-UHFFFAOYSA-N

Compound name

2-[3-aminopropyl(methyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1204
Patents: 132.12627 Da
Monoisotopic Mass: -1.0
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]+	133.13355	130.8
[M+Na]+	155.11549	136.0
[M-H]-	131.11899	130.4
[M+NH4]+	150.16009	151.9
[M+K]+	171.08943	136.2
[M+H-H2O]+	115.12353	125.3
[M+HCOO]-	177.12447	155.1
[M+CH3COO]-	191.14012	179.0
[M+Na-2H]-	153.10094	135.8
[M]+	132.12572	130.1
[M]-	132.12682	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe