CID 259832

2792-72-5

Structural Information

Molecular Formula

C₆H₁₀F₃NO₂

SMILES

CC(CC(C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)

InChIKey

XFGVJLGVINCWDP-UHFFFAOYSA-N

Compound name

2-amino-5,5,5-trifluoro-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 2417
Patents: 185.06636 Da
Monoisotopic Mass: -0.9
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]+	186.073636	135.9
[M+Na]+	208.055578	142.1
[M-H]-	184.059084	130.5
[M+NH4]+	203.100183	154.2
[M+K]+	224.029518	141.4
[M+H-H2O]+	168.063620	129.0
[M+HCOO]-	230.064561	151.6
[M+CH3COO]-	244.080211	182.3
[M+Na-2H]-	206.041026	136.8
[M]+	185.06581142	129.3
[M]-	185.06690858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe