CID 58286858

2305731-07-9

Structural Information

Molecular Formula
C6H12FN
SMILES
C[C@@H]1CCNC[C@@H]1F
InChI
InChI=1S/C6H12FN/c1-5-2-3-8-4-6(5)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKey
AJTJCPRPZUUJPS-RITPCOANSA-N
Compound name
(3R,4R)-3-fluoro-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

117.095375 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.102651 123.7
[M+Na]+ 140.084593 129.8
[M-H]- 116.088099 122.7
[M+NH4]+ 135.129198 144.2
[M+K]+ 156.058533 128.0
[M+H-H2O]+ 100.092635 117.3
[M+HCOO]- 162.093576 141.0
[M+CH3COO]- 176.109226 167.1
[M+Na-2H]- 138.070041 128.7
[M]+ 117.09482642 116.0
[M]- 117.09592358 116.0
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