CID 43556400

1-trifluoromethanesulfonylpiperidin-4-amine

Structural Information

Molecular Formula
C6H11F3N2O2S
SMILES
C1CN(CCC1N)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-3-1-5(10)2-4-11/h5H,1-4,10H2
InChIKey
STUGVNMGOOCBQQ-UHFFFAOYSA-N
Compound name
1-(trifluoromethylsulfonyl)piperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

232.04933 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05661 143.8
[M+Na]+ 255.03855 150.6
[M-H]- 231.04205 141.1
[M+NH4]+ 250.08315 160.0
[M+K]+ 271.01249 147.9
[M+H-H2O]+ 215.04659 135.5
[M+HCOO]- 277.04753 153.2
[M+CH3COO]- 291.06318 186.0
[M+Na-2H]- 253.02400 146.0
[M]+ 232.04878 136.4
[M]- 232.04988 136.4
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