CID 14825459

27240-44-4

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

COC(=O)C(C(F)(F)F)N

InChI

InChI=1S/C4H6F3NO2/c1-10-3(9)2(8)4(5,6)7/h2H,8H2,1H3

InChIKey

MPSBBPUJPYCDGC-UHFFFAOYSA-N

Compound name

methyl 2-amino-3,3,3-trifluoropropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 157.03506 Da
Monoisotopic Mass: 0.4
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	126.2
[M+Na]+	180.024278	133.9
[M-H]-	156.027784	122.6
[M+NH4]+	175.068883	146.5
[M+K]+	195.998218	134.2
[M+H-H2O]+	140.032320	119.4
[M+HCOO]-	202.033261	145.1
[M+CH3COO]-	216.048911	177.2
[M+Na-2H]-	178.009726	129.9
[M]+	157.03451142	121.3
[M]-	157.03560858	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe