CID 155970459

Tert-butyl 3-oxo-2-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H16F3NO3
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)C1C(F)(F)F
InChI
InChI=1S/C11H16F3NO3/c1-10(2,3)18-9(17)15-6-4-5-7(16)8(15)11(12,13)14/h8H,4-6H2,1-3H3
InChIKey
ATXYXHPSLVICDC-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11550 156.6
[M+Na]+ 290.09744 163.5
[M-H]- 266.10094 154.7
[M+NH4]+ 285.14204 172.1
[M+K]+ 306.07138 162.2
[M+H-H2O]+ 250.10548 148.6
[M+HCOO]- 312.10642 168.6
[M+CH3COO]- 326.12207 195.0
[M+Na-2H]- 288.08289 158.5
[M]+ 267.10767 151.6
[M]- 267.10877 151.6
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.