CID 53302083

Tert-butyl n-[(3r,4r)-3-fluoropiperidin-4-yl]carbamate

Structural Information

Molecular Formula
C10H19FN2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCNC[C@H]1F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m1/s1
InChIKey
MPIIBGAKGQZLDK-HTQZYQBOSA-N
Compound name
tert-butyl N-[(3R,4R)-3-fluoropiperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

218.14305 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15033 151.0
[M+Na]+ 241.13227 155.3
[M-H]- 217.13577 149.8
[M+NH4]+ 236.17687 167.3
[M+K]+ 257.10621 153.7
[M+H-H2O]+ 201.14031 144.0
[M+HCOO]- 263.14125 166.2
[M+CH3COO]- 277.15690 186.6
[M+Na-2H]- 239.11772 153.8
[M]+ 218.14250 144.9
[M]- 218.14360 144.9
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