CID 122164475

2-amino-2-(trifluoromethyl)propane-1,3-diol hydrochloride

Structural Information

Molecular Formula

C₄H₈F₃NO₂

SMILES

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

InChI

InChI=1S/C4H8F3NO2/c5-4(6,7)3(8,1-9)2-10/h9-10H,1-2,8H2

InChIKey

XULJFPLUCAEYLN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 159.05072 Da
Monoisotopic Mass: -1.1
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]+	160.05800	133.1
[M+Na]+	182.03994	137.7
[M+NH4]+	177.08454	136.9
[M+K]+	198.01388	136.1
[M-H]-	158.04344	126.1
[M+Na-2H]-	180.02539	133.2
[M]+	159.05017	131.1
[M]-	159.05127	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe