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]+ 198.11003 141.9
[M+Na]+ 220.09197 146.8
[M-H]- 196.09547 137.6
[M+NH4]+ 215.13657 158.8
[M+K]+ 236.06591 144.4
[M+H-H2O]+ 180.10001 133.2
[M+HCOO]- 242.10095 155.0
[M+CH3COO]- 256.11660 179.4
[M+Na-2H]- 218.07742 145.9
[M]+ 197.10220 133.0
[M]- 197.10330 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