CID 24689679

4-(2,2,2-trifluoroethoxy)piperidine

Structural Information

Molecular Formula
C7H12F3NO
SMILES
C1CNCCC1OCC(F)(F)F
InChI
InChI=1S/C7H12F3NO/c8-7(9,10)5-12-6-1-3-11-4-2-6/h6,11H,1-5H2
InChIKey
HOCPYEYZSBYINV-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethoxy)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

183.0871 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.094376 137.3
[M+Na]+ 206.076318 142.6
[M-H]- 182.079824 133.2
[M+NH4]+ 201.120923 154.8
[M+K]+ 222.050258 140.5
[M+H-H2O]+ 166.084360 128.8
[M+HCOO]- 228.085301 150.8
[M+CH3COO]- 242.100951 176.4
[M+Na-2H]- 204.061766 141.9
[M]+ 183.08655142 128.1
[M]- 183.08764858 128.1
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