CID 33783361

1,4-dimethyl-3-(trifluoromethyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula

C₆H₈F₃N₃

SMILES

CC1=C(N(N=C1C(F)(F)F)C)N

InChI

InChI=1S/C6H8F3N3/c1-3-4(6(7,8)9)11-12(2)5(3)10/h10H2,1-2H3

InChIKey

QRLFNOIUGQYYQU-UHFFFAOYSA-N

Compound name

2,4-dimethyl-5-(trifluoromethyl)pyrazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 179.06703 Da
Monoisotopic Mass: 1.2
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]+	180.07431	132.6
[M+Na]+	202.05625	143.7
[M-H]-	178.05975	130.4
[M+NH4]+	197.10085	152.1
[M+K]+	218.03019	141.3
[M+H-H2O]+	162.06429	124.1
[M+HCOO]-	224.06523	151.8
[M+CH3COO]-	238.08088	183.3
[M+Na-2H]-	200.04170	136.2
[M]+	179.06648	128.3
[M]-	179.06758	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe