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

42
Patents

183.0871 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09438 137.3
[M+Na]+ 206.07632 142.6
[M-H]- 182.07982 133.2
[M+NH4]+ 201.12092 154.8
[M+K]+ 222.05026 140.5
[M+H-H2O]+ 166.08436 128.8
[M+HCOO]- 228.08530 150.8
[M+CH3COO]- 242.10095 176.4
[M+Na-2H]- 204.06177 141.9
[M]+ 183.08655 128.1
[M]- 183.08765 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