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 148.2
[M+Na]+ 269.05421 154.6
[M-H]- 245.05771 145.3
[M+NH4]+ 264.09881 163.8
[M+K]+ 285.02815 151.6
[M+H-H2O]+ 229.06225 139.7
[M+HCOO]- 291.06319 157.3
[M+CH3COO]- 305.07884 189.0
[M+Na-2H]- 267.03966 149.9
[M]+ 246.06444 141.1
[M]- 246.06554 141.1
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