CID 64176280

1343397-91-0

Structural Information

Molecular Formula
C8H12F3N3
SMILES
CC(CN)CN1C=C(C=N1)C(F)(F)F
InChI
InChI=1S/C8H12F3N3/c1-6(2-12)4-14-5-7(3-13-14)8(9,10)11/h3,5-6H,2,4,12H2,1H3
InChIKey
IUSZBSGUGNBXLM-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.09833 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10561 142.0
[M+Na]+ 230.08755 150.2
[M-H]- 206.09105 138.8
[M+NH4]+ 225.13215 159.7
[M+K]+ 246.06149 147.8
[M+H-H2O]+ 190.09559 132.5
[M+HCOO]- 252.09653 159.7
[M+CH3COO]- 266.11218 187.8
[M+Na-2H]- 228.07300 144.8
[M]+ 207.09778 137.1
[M]- 207.09888 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.