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

13
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 159.2
[M+Na]+ 269.16358 165.5
[M+NH4]+ 264.20818 164.5
[M+K]+ 285.13752 162.2
[M-H]- 245.16708 157.2
[M+Na-2H]- 267.14903 160.4
[M]+ 246.17381 159.0
[M]- 246.17491 159.0
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