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

9
Annotation Hits: 17492
References: 163373
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]+	122.08117	124.8
[M+Na]+	144.06311	131.0
[M-H]-	120.06661	120.7
[M+NH4]+	139.10771	144.5
[M+K]+	160.03705	129.8
[M+H-H2O]+	104.07115	121.0
[M+HCOO]-	166.07209	144.1
[M+CH3COO]-	180.08774	163.9
[M+Na-2H]-	142.04856	131.0
[M]+	121.07334	121.5
[M]-	121.07444	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe