CID 58398055

2306254-06-6

Structural Information

Molecular Formula

C₆H₁₃FN₂

SMILES

CN1CC[C@@H]([C@@H](C1)F)N

InChI

InChI=1S/C6H13FN2/c1-9-3-2-6(8)5(7)4-9/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1

InChIKey

FIWBAIBSPICWNU-RITPCOANSA-N

Compound name

(3R,4S)-3-fluoro-1-methylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 132.10628 Da
Monoisotopic Mass: -0.1
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]+	133.11356	127.3
[M+Na]+	155.09550	137.0
[M+NH4]+	150.14010	135.5
[M+K]+	171.06944	131.5
[M-H]-	131.09900	128.0
[M+Na-2H]-	153.08095	131.6
[M]+	132.10573	128.5
[M]-	132.10683	128.5

Literature stripe

literature stripe

Patent stripe

patents stripe