CID 71757581

3-(2,2,2-trifluoroethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC(CNC1)CC(F)(F)F
InChI
InChI=1S/C7H12F3N/c8-7(9,10)4-6-2-1-3-11-5-6/h6,11H,1-5H2
InChIKey
MEVDKKNXAXXWFY-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

167.09218 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.09946 134.2
[M+Na]+ 190.08140 139.6
[M-H]- 166.08490 130.2
[M+NH4]+ 185.12600 152.4
[M+K]+ 206.05534 137.0
[M+H-H2O]+ 150.08944 126.0
[M+HCOO]- 212.09038 147.5
[M+CH3COO]- 226.10603 174.4
[M+Na-2H]- 188.06685 138.7
[M]+ 167.09163 123.5
[M]- 167.09273 123.5
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