CID 24730

Triisopropanolamine

Structural Information

Molecular Formula

C₉H₂₁NO₃

SMILES

CC(CN(CC(C)O)CC(C)O)O

InChI

InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3

InChIKey

SLINHMUFWFWBMU-UHFFFAOYSA-N

Compound name

1-[bis(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 80490
Patents: 191.15215 Da
Monoisotopic Mass: -0.5
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]+	192.15943	146.3
[M+Na]+	214.14137	152.0
[M+NH4]+	209.18597	151.6
[M+K]+	230.11531	150.2
[M-H]-	190.14487	143.4
[M+Na-2H]-	212.12682	146.1
[M]+	191.15160	145.7
[M]-	191.15270	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe