CID 115015283

1823875-42-8

Structural Information

Molecular Formula

C₆H₈F₃N₃

SMILES

CN1C(=C(C=N1)C(F)(F)F)CN

InChI

InChI=1S/C6H8F3N3/c1-12-5(2-10)4(3-11-12)6(7,8)9/h3H,2,10H2,1H3

InChIKey

SGCJTGWPNRLDKA-UHFFFAOYSA-N

Compound name

[2-methyl-4-(trifluoromethyl)pyrazol-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 179.06703 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]+	180.07431	132.6
[M+Na]+	202.05625	142.8
[M-H]-	178.05975	130.0
[M+NH4]+	197.10085	151.7
[M+K]+	218.03019	140.4
[M+H-H2O]+	162.06429	123.7
[M+HCOO]-	224.06523	151.8
[M+CH3COO]-	238.08088	182.1
[M+Na-2H]-	200.04170	136.8
[M]+	179.06648	128.0
[M]-	179.06758	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe