CID 81798

7343-51-3

Structural Information

Molecular Formula

C₆H₁₅NO₄

SMILES

C(CO)NC(CO)(CO)CO

InChI

InChI=1S/C6H15NO4/c8-2-1-7-6(3-9,4-10)5-11/h7-11H,1-5H2

InChIKey

OTWJRAWXTDGSDT-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 165.10011 Da
Monoisotopic Mass: -3.1
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]+	166.10739	134.7
[M+Na]+	188.08933	140.5
[M+NH4]+	183.13393	139.5
[M+K]+	204.06327	138.6
[M-H]-	164.09283	130.6
[M+Na-2H]-	186.07478	135.1
[M]+	165.09956	133.7
[M]-	165.10066	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe