CID 6503

Trometamol

Structural Information

Molecular Formula

C₄H₁₁NO₃

SMILES

C(C(CO)(CO)N)O

InChI

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2

InChIKey

LENZDBCJOHFCAS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 17493
References: 180650
Patents: 121.07389 Da
Monoisotopic Mass: -2.9
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]+	122.081166	124.8
[M+Na]+	144.063108	131.0
[M-H]-	120.066614	120.7
[M+NH4]+	139.107713	144.5
[M+K]+	160.037048	129.8
[M+H-H2O]+	104.071150	121.0
[M+HCOO]-	166.072091	144.1
[M+CH3COO]-	180.087741	163.9
[M+Na-2H]-	142.048556	131.0
[M]+	121.07334142	121.5
[M]-	121.07443858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe