CID 64177910

4-[4-(trifluoromethyl)-1h-pyrazol-1-yl]piperidine hydrochloride

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CNCCC1N2C=C(C=N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-15(6-7)8-1-3-13-4-2-8/h5-6,8,13H,1-4H2
InChIKey
XYNLXIDCXIBCMW-UHFFFAOYSA-N
Compound name
4-[4-(trifluoromethyl)pyrazol-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.09833 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10561 146.2
[M+Na]+ 242.08755 152.9
[M-H]- 218.09105 143.0
[M+NH4]+ 237.13215 161.3
[M+K]+ 258.06149 148.9
[M+H-H2O]+ 202.09559 135.3
[M+HCOO]- 264.09653 158.3
[M+CH3COO]- 278.11218 182.6
[M+Na-2H]- 240.07300 148.8
[M]+ 219.09778 136.1
[M]- 219.09888 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

patents stripe