CID 139598032

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

Structural Information

Molecular Formula
C11H18F9N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H18F9N2O2S/c1-21(6-5-7-22(2,3)4)25(23,24)11(19,20)9(14,15)8(12,13)10(16,17)18/h5-7H2,1-4H3/q+1
InChIKey
YKUMGPJJYWLQDX-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0945 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.10178 178.3
[M+Na]+ 436.08372 180.4
[M+NH4]+ 431.12832 181.4
[M+K]+ 452.05766 182.5
[M-H]- 412.08722 185.5
[M+Na-2H]- 434.06917 190.1
[M]+ 413.09395 179.1
[M]- 413.09505 179.1
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

No patent data available for this compound.