CID 43650966

3-[5-(trifluoromethyl)-1h-imidazol-2-yl]piperidine

Structural Information

Molecular Formula
C9H12F3N3
SMILES
C1CC(CNC1)C2=NC=C(N2)C(F)(F)F
InChI
InChI=1S/C9H12F3N3/c10-9(11,12)7-5-14-8(15-7)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H,14,15)
InChIKey
AQRVZTOQDFOBGJ-UHFFFAOYSA-N
Compound name
3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 146.5
[M+Na]+ 242.08755 152.9
[M-H]- 218.09105 142.0
[M+NH4]+ 237.13215 160.9
[M+K]+ 258.06149 148.0
[M+H-H2O]+ 202.09559 136.0
[M+HCOO]- 264.09653 157.2
[M+CH3COO]- 278.11218 180.1
[M+Na-2H]- 240.07300 148.7
[M]+ 219.09778 134.6
[M]- 219.09888 134.6
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