CID 22061329

Tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C11H18F3NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(F)(F)F)O
InChI
InChI=1S/C11H18F3NO3/c1-9(2,3)18-8(16)15-6-4-10(17,5-7-15)11(12,13)14/h17H,4-7H2,1-3H3
InChIKey
BPCANPVVCVCTOJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

269.12387 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13115 158.5
[M+Na]+ 292.11309 164.7
[M-H]- 268.11659 155.1
[M+NH4]+ 287.15769 175.1
[M+K]+ 308.08703 163.5
[M+H-H2O]+ 252.12113 151.6
[M+HCOO]- 314.12207 168.9
[M+CH3COO]- 328.13772 191.7
[M+Na-2H]- 290.09854 161.9
[M]+ 269.12332 152.3
[M]- 269.12442 152.3
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