CID 14219639

118646-21-2

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CN(CCCO)CCN

InChI

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

InChIKey

BGBRROYMRJIQFT-UHFFFAOYSA-N

Compound name

3-[2-aminoethyl(methyl)amino]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	129.3
[M+Na]+	155.11549	137.1
[M+NH4]+	150.16009	136.8
[M+K]+	171.08943	132.6
[M-H]-	131.11899	129.5
[M+Na-2H]-	153.10094	132.5
[M]+	132.12572	130.0
[M]-	132.12682	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe