CID 72207953

1273565-65-3

Structural Information

Molecular Formula

C₁₀H₁₉FN₂O₂

SMILES

CC(C)(C)OC(=O)N1CC[C@H]([C@H](C1)N)F

InChI

InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-7(11)8(12)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m1/s1

InChIKey

CVHJEFDRBTZVEL-SFYZADRCSA-N

Compound name

tert-butyl (3S,4R)-3-amino-4-fluoropiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 218.14305 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.150326	150.7
[M+Na]+	241.132268	156.3
[M-H]-	217.135774	150.7
[M+NH4]+	236.176873	167.7
[M+K]+	257.106208	155.3
[M+H-H2O]+	201.140310	143.8
[M+HCOO]-	263.141251	166.7
[M+CH3COO]-	277.156901	189.7
[M+Na-2H]-	239.117716	152.2
[M]+	218.14250142	145.8
[M]-	218.14359858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe