CID 66315

10353-86-3

Structural Information

Molecular Formula

C₈H₁₉NO₃

SMILES

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

InChI

InChI=1S/C8H19NO3/c1-7(11)5-9(3-4-10)6-8(2)12/h7-8,10-12H,3-6H2,1-2H3

InChIKey

HHKUQCFQGCCLGA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 662
Patents: 177.13649 Da
Monoisotopic Mass: -0.9
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]+	178.14377	141.6
[M+Na]+	200.12571	147.9
[M+NH4]+	195.17031	147.3
[M+K]+	216.09965	145.5
[M-H]-	176.12921	139.1
[M+Na-2H]-	198.11116	142.1
[M]+	177.13594	141.2
[M]-	177.13704	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe