CID 61632463

3-[3-(trifluoromethyl)-1h-pyrazol-1-yl]piperidine

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CC(CNC1)N2C=CC(=N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)8-3-5-15(14-8)7-2-1-4-13-6-7/h3,5,7,13H,1-2,4,6H2
InChIKey
NKMNOYDMGSWCJV-UHFFFAOYSA-N
Compound name
3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09833 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.105606 146.2
[M+Na]+ 242.087548 152.9
[M-H]- 218.091054 143.0
[M+NH4]+ 237.132153 161.3
[M+K]+ 258.061488 148.9
[M+H-H2O]+ 202.095590 135.3
[M+HCOO]- 264.096531 158.3
[M+CH3COO]- 278.112181 182.6
[M+Na-2H]- 240.072996 148.8
[M]+ 219.09778142 136.1
[M]- 219.09887858 136.1
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.