CID 139594909

N,n,n-trimethyl-3-[methyl(perfluoroethanesulfonyl)amino]propan-1-aminium

Structural Information

Molecular Formula
C9H18F5N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H18F5N2O2S/c1-15(6-5-7-16(2,3)4)19(17,18)9(13,14)8(10,11)12/h5-7H2,1-4H3/q+1
InChIKey
FKAAEAHUKRGMBQ-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,2-pentafluoroethylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

313.10092 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10820 153.9
[M+Na]+ 336.09014 160.4
[M-H]- 312.09364 150.7
[M+NH4]+ 331.13474 169.4
[M+K]+ 352.06408 154.3
[M+H-H2O]+ 296.09818 147.2
[M+HCOO]- 358.09912 164.3
[M+CH3COO]- 372.11477 205.7
[M+Na-2H]- 334.07559 161.2
[M]+ 313.10037 150.3
[M]- 313.10147 150.3
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

No patent data available for this compound.