CID 105506562

Tert-butyl 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C12H23FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(CN)F
InChI
InChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15-6-4-9(5-7-15)10(13)8-14/h9-10H,4-8,14H2,1-3H3
InChIKey
XAMNDOGGCPIXBA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-amino-1-fluoroethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

246.17436 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.181636 159.8
[M+Na]+ 269.163578 163.4
[M-H]- 245.167084 159.1
[M+NH4]+ 264.208183 175.3
[M+K]+ 285.137518 162.4
[M+H-H2O]+ 229.171620 152.4
[M+HCOO]- 291.172561 174.2
[M+CH3COO]- 305.188211 195.5
[M+Na-2H]- 267.149026 159.8
[M]+ 246.17381142 154.7
[M]- 246.17490858 154.7
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