CID 81462

Bis-tris

Structural Information

Molecular Formula

C₈H₁₉NO₅

SMILES

C(CO)N(CCO)C(CO)(CO)CO

InChI

InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2

InChIKey

OWMVSZAMULFTJU-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1157
References: 82491
Patents: 209.12633 Da
Monoisotopic Mass: -3.3
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]+	210.13361	146.4
[M+Na]+	232.11555	150.9
[M+NH4]+	227.16015	150.1
[M+K]+	248.08949	150.0
[M-H]-	208.11905	141.4
[M+Na-2H]-	230.10100	145.4
[M]+	209.12578	144.9
[M]-	209.12688	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe