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
2
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 170.0
[M+Na]+ 436.08372 197.5
[M-H]- 412.08722 195.5
[M+NH4]+ 431.12832 198.4
[M+K]+ 452.05766 169.7
[M+H-H2O]+ 396.09176 160.3
[M+HCOO]- 458.09270 210.6
[M+CH3COO]- 472.10835 223.6
[M+Na-2H]- 434.06917 177.5
[M]+ 413.09395 189.6
[M]- 413.09505 189.6
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.