CID 55263061

1364677-71-3

Structural Information

Molecular Formula

C₄H₄F₃N₃O

SMILES

C(C1=NC(=NO1)C(F)(F)F)N

InChI

InChI=1S/C4H4F3N3O/c5-4(6,7)3-9-2(1-8)11-10-3/h1,8H2

InChIKey

VSMJCPURCKGNMY-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 167.03064 Da
Monoisotopic Mass: 0.0
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]+	168.03792	126.5
[M+Na]+	190.01986	136.6
[M-H]-	166.02336	124.4
[M+NH4]+	185.06446	144.5
[M+K]+	205.99380	136.0
[M+H-H2O]+	150.02790	117.6
[M+HCOO]-	212.02884	145.7
[M+CH3COO]-	226.04449	176.9
[M+Na-2H]-	188.00531	133.4
[M]+	167.03009	122.8
[M]-	167.03119	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe