CID 60997983

1502819-68-2

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

CC(C(=O)OC)NCC(F)(F)F

InChI

InChI=1S/C6H10F3NO2/c1-4(5(11)12-2)10-3-6(7,8)9/h4,10H,3H2,1-2H3

InChIKey

NHARJKLRSIMLTO-UHFFFAOYSA-N

Compound name

methyl 2-(2,2,2-trifluoroethylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.06636 Da
Monoisotopic Mass: 1.2
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]+	186.07364	135.3
[M+Na]+	208.05558	142.2
[M-H]-	184.05908	131.8
[M+NH4]+	203.10018	154.8
[M+K]+	224.02952	142.3
[M+H-H2O]+	168.06362	128.1
[M+HCOO]-	230.06456	154.1
[M+CH3COO]-	244.08021	183.9
[M+Na-2H]-	206.04103	139.0
[M]+	185.06581	132.2
[M]-	185.06691	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.