CID 43605368

(1-trifluoromethanesulfonylpiperidin-4-yl)methanamine

Structural Information

Molecular Formula
C7H13F3N2O2S
SMILES
C1CN(CCC1CN)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H13F3N2O2S/c8-7(9,10)15(13,14)12-3-1-6(5-11)2-4-12/h6H,1-5,11H2
InChIKey
RIQXPPXIZFHYMQ-UHFFFAOYSA-N
Compound name
[1-(trifluoromethylsulfonyl)piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

246.06499 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07227 153.5
[M+Na]+ 269.05421 158.1
[M+NH4]+ 264.09881 157.5
[M+K]+ 285.02815 153.8
[M-H]- 245.05771 148.3
[M+Na-2H]- 267.03966 153.9
[M]+ 246.06444 152.5
[M]- 246.06554 152.5
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