CID 64567759

4-(3,3,3-trifluoropropoxy)piperidine

Structural Information

Molecular Formula
C8H14F3NO
SMILES
C1CNCCC1OCCC(F)(F)F
InChI
InChI=1S/C8H14F3NO/c9-8(10,11)3-6-13-7-1-4-12-5-2-7/h7,12H,1-6H2
InChIKey
NDXWNMUUIZABOM-UHFFFAOYSA-N
Compound name
4-(3,3,3-trifluoropropoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.10275 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.110026 141.9
[M+Na]+ 220.091968 146.8
[M-H]- 196.095474 137.6
[M+NH4]+ 215.136573 158.8
[M+K]+ 236.065908 144.4
[M+H-H2O]+ 180.100010 133.2
[M+HCOO]- 242.100951 155.0
[M+CH3COO]- 256.116601 179.4
[M+Na-2H]- 218.077416 145.9
[M]+ 197.10220142 133.0
[M]- 197.10329858 133.0
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