CID 82008637

1909336-60-2

Structural Information

Molecular Formula

C₅H₆F₃N₃O

SMILES

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

InChI

InChI=1S/C5H6F3N3O/c1-2(9)3-10-4(11-12-3)5(6,7)8/h2H,9H2,1H3

InChIKey

OLFUZLGSBDUCKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 181.0463 Da
Monoisotopic Mass: 0.4
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]+	182.05358	131.6
[M+Na]+	204.03552	141.1
[M-H]-	180.03902	129.5
[M+NH4]+	199.08012	149.0
[M+K]+	220.00946	140.7
[M+H-H2O]+	164.04356	122.6
[M+HCOO]-	226.04450	149.6
[M+CH3COO]-	240.06015	180.8
[M+Na-2H]-	202.02097	136.8
[M]+	181.04575	127.6
[M]-	181.04685	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe