CID 132351225

Tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H19BrF3NO3
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1OC)Br)C(F)(F)F
InChI
InChI=1S/C12H19BrF3NO3/c1-11(2,3)20-10(18)17-6-7(12(14,15)16)5-8(13)9(17)19-4/h7-9H,5-6H2,1-4H3
InChIKey
QXHURTKHYUUBFJ-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-2-methoxy-5-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.05005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.05733 177.0
[M+Na]+ 384.03927 186.9
[M-H]- 360.04277 177.8
[M+NH4]+ 379.08387 192.8
[M+K]+ 400.01321 176.6
[M+H-H2O]+ 344.04731 174.5
[M+HCOO]- 406.04825 186.5
[M+CH3COO]- 420.06390 208.8
[M+Na-2H]- 382.02472 178.2
[M]+ 361.04950 191.8
[M]- 361.05060 191.8
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.