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]+ 247.18164 159.8
[M+Na]+ 269.16358 163.4
[M-H]- 245.16708 159.1
[M+NH4]+ 264.20818 175.3
[M+K]+ 285.13752 162.4
[M+H-H2O]+ 229.17162 152.4
[M+HCOO]- 291.17256 174.2
[M+CH3COO]- 305.18821 195.5
[M+Na-2H]- 267.14903 159.8
[M]+ 246.17381 154.7
[M]- 246.17491 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