CID 82468310

2411293-80-4

Structural Information

Molecular Formula

C₆H₇F₃N₂O

SMILES

C1=C(ON=C1C(F)(F)F)CCN

InChI

InChI=1S/C6H7F3N2O/c7-6(8,9)5-3-4(1-2-10)12-11-5/h3H,1-2,10H2

InChIKey

BTFNZIWMIQMTQG-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.05104 Da
Monoisotopic Mass: 0.6
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]+	181.05832	139.0
[M+Na]+	203.04026	146.2
[M+NH4]+	198.08486	143.9
[M+K]+	219.01420	144.2
[M-H]-	179.04376	136.0
[M+Na-2H]-	201.02571	141.3
[M]+	180.05049	138.7
[M]-	180.05159	138.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.