CID 12700841

[3-(dimethylamino)-2-hydroxypropyl](methyl)amine

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CNCC(CN(C)C)O

InChI

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

InChIKey

ZISBGZVIQGRTRQ-UHFFFAOYSA-N

Compound name

1-(dimethylamino)-3-(methylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 132.12627 Da
Monoisotopic Mass: -0.8
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	131.4
[M+Na]+	155.11549	136.3
[M-H]-	131.11899	131.6
[M+NH4]+	150.16009	152.7
[M+K]+	171.08943	137.4
[M+H-H2O]+	115.12353	125.9
[M+HCOO]-	177.12447	155.3
[M+CH3COO]-	191.14012	180.6
[M+Na-2H]-	153.10094	136.1
[M]+	132.12572	131.0
[M]-	132.12682	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe