CID 54592932

1311313-76-4

Structural Information

Molecular Formula
C13H21F3N2O3
SMILES
C1CC(CN(C1)C(=O)OCC(F)(F)F)CN2CCOCC2
InChI
InChI=1S/C13H21F3N2O3/c14-13(15,16)10-21-12(19)18-3-1-2-11(9-18)8-17-4-6-20-7-5-17/h11H,1-10H2
InChIKey
HCRMWWGTBNMZJJ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl 3-(morpholin-4-ylmethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15042 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15770 172.1
[M+Na]+ 333.13964 174.6
[M-H]- 309.14314 170.6
[M+NH4]+ 328.18424 181.9
[M+K]+ 349.11358 173.5
[M+H-H2O]+ 293.14768 160.5
[M+HCOO]- 355.14862 179.5
[M+CH3COO]- 369.16427 200.5
[M+Na-2H]- 331.12509 172.5
[M]+ 310.14987 163.0
[M]- 310.15097 163.0
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

No patent data available for this compound.