CID 19616726

3-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pentan-1-amine

Structural Information

Molecular Formula
C9H14F3N3
SMILES
CCC(CCN)N1C=CC(=N1)C(F)(F)F
InChI
InChI=1S/C9H14F3N3/c1-2-7(3-5-13)15-6-4-8(14-15)9(10,11)12/h4,6-7H,2-3,5,13H2,1H3
InChIKey
TZUIRHRAHGBQSK-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)pyrazol-1-yl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

221.11398 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12126 146.7
[M+Na]+ 244.10320 154.4
[M-H]- 220.10670 143.3
[M+NH4]+ 239.14780 163.8
[M+K]+ 260.07714 151.7
[M+H-H2O]+ 204.11124 137.0
[M+HCOO]- 266.11218 164.0
[M+CH3COO]- 280.12783 190.8
[M+Na-2H]- 242.08865 148.9
[M]+ 221.11343 142.1
[M]- 221.11453 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.