CID 19620741

1006436-51-6

Structural Information

Molecular Formula

C₆H₈F₃N₃

SMILES

C1=CN(N=C1C(F)(F)F)CCN

InChI

InChI=1S/C6H8F3N3/c7-6(8,9)5-1-3-12(11-5)4-2-10/h1,3H,2,4,10H2

InChIKey

OBZDBRBYLJWVPQ-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 179.06703 Da
Monoisotopic Mass: 0.1
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]+	180.07431	132.4
[M+Na]+	202.05625	141.7
[M-H]-	178.05975	129.4
[M+NH4]+	197.10085	151.3
[M+K]+	218.03019	139.3
[M+H-H2O]+	162.06429	123.2
[M+HCOO]-	224.06523	151.7
[M+CH3COO]-	238.08088	180.9
[M+Na-2H]-	200.04170	137.4
[M]+	179.06648	127.5
[M]-	179.06758	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe