CID 11368252

N-[(2s)-2-pyrrolidinylmethyl]-trifluoromethanesulfonamide

Structural Information

Molecular Formula
C6H11F3N2O2S
SMILES
C1C[C@H](NC1)CNS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-4-5-2-1-3-10-5/h5,10-11H,1-4H2/t5-/m0/s1
InChIKey
RIWFUAUXWIEOTK-YFKPBYRVSA-N
Compound name
1,1,1-trifluoro-N-[[(2S)-pyrrolidin-2-yl]methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

232.04933 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.056606 144.2
[M+Na]+ 255.038548 150.8
[M-H]- 231.042054 140.8
[M+NH4]+ 250.083153 161.7
[M+K]+ 271.012488 147.8
[M+H-H2O]+ 215.046590 136.3
[M+HCOO]- 277.047531 155.0
[M+CH3COO]- 291.063181 182.5
[M+Na-2H]- 253.023996 146.5
[M]+ 232.04878142 137.8
[M]- 232.04987858 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe