CID 66678829

(5-(trifluoromethyl)isoxazol-3-yl)methanamine

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

C1=C(ON=C1CN)C(F)(F)F

InChI

InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-3(2-9)10-11-4/h1H,2,9H2

InChIKey

NXNMFIMTQQLGMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 166.0354 Da
Monoisotopic Mass: 0.2
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]+	167.04268	134.7
[M+Na]+	189.02462	142.2
[M+NH4]+	184.06922	139.8
[M+K]+	204.99856	140.4
[M-H]-	165.02812	131.8
[M+Na-2H]-	187.01007	137.3
[M]+	166.03485	134.5
[M]-	166.03595	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe