CID 83914999

4-(3,3,3-trifluoropropyl)piperidine

Structural Information

Molecular Formula
C8H14F3N
SMILES
C1CNCCC1CCC(F)(F)F
InChI
InChI=1S/C8H14F3N/c9-8(10,11)4-1-7-2-5-12-6-3-7/h7,12H,1-6H2
InChIKey
KELABAWMRUGVFF-UHFFFAOYSA-N
Compound name
4-(3,3,3-trifluoropropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.10783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11511 138.8
[M+Na]+ 204.09705 143.7
[M-H]- 180.10055 134.6
[M+NH4]+ 199.14165 156.4
[M+K]+ 220.07099 140.9
[M+H-H2O]+ 164.10509 130.3
[M+HCOO]- 226.10603 151.7
[M+CH3COO]- 240.12168 177.4
[M+Na-2H]- 202.08250 142.8
[M]+ 181.10728 128.5
[M]- 181.10838 128.5
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