CID 28897662

2-[(2,2,2-trifluoroethyl)amino]acetic acid hydrochloride

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

C(C(=O)O)NCC(F)(F)F

InChI

InChI=1S/C4H6F3NO2/c5-4(6,7)2-8-1-3(9)10/h8H,1-2H2,(H,9,10)

InChIKey

ULINGFKOGLHDJP-UHFFFAOYSA-N

Compound name

2-(2,2,2-trifluoroethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 157.03506 Da
Monoisotopic Mass: -1.8
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]+	158.042336	126.1
[M+Na]+	180.024278	133.5
[M-H]-	156.027784	121.4
[M+NH4]+	175.068883	145.9
[M+K]+	195.998218	132.6
[M+H-H2O]+	140.032320	119.4
[M+HCOO]-	202.033261	145.0
[M+CH3COO]-	216.048911	175.1
[M+Na-2H]-	178.009726	131.6
[M]+	157.03451142	121.0
[M]-	157.03560858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe