CID 112017

N-(3-hydroxypropyl)-1,2-propanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CC(CNCCCO)N

InChI

InChI=1S/C6H16N2O/c1-6(7)5-8-3-2-4-9/h6,8-9H,2-5,7H2,1H3

InChIKey

PKPINSQODSMJFH-UHFFFAOYSA-N

Compound name

3-(2-aminopropylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
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	131.2
[M+Na]+	155.11549	136.0
[M-H]-	131.11899	129.4
[M+NH4]+	150.16009	151.6
[M+K]+	171.08943	135.3
[M+H-H2O]+	115.12353	125.9
[M+HCOO]-	177.12447	154.1
[M+CH3COO]-	191.14012	176.4
[M+Na-2H]-	153.10094	135.7
[M]+	132.12572	128.6
[M]-	132.12682	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe