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

5
Patents

181.10783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.115106 138.8
[M+Na]+ 204.097048 143.7
[M-H]- 180.100554 134.6
[M+NH4]+ 199.141653 156.4
[M+K]+ 220.070988 140.9
[M+H-H2O]+ 164.105090 130.3
[M+HCOO]- 226.106031 151.7
[M+CH3COO]- 240.121681 177.4
[M+Na-2H]- 202.082496 142.8
[M]+ 181.10728142 128.5
[M]- 181.10837858 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