CID 139595510

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

Structural Information

Molecular Formula
C14H18F15N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H18F15N2O2S/c1-30(6-5-7-31(2,3)4)34(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h5-7H2,1-4H3/q+1
InChIKey
IYBRQDTZWVOFKC-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

563.08496 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.09224 159.1
[M+Na]+ 586.07418 159.3
[M+NH4]+ 581.11878 159.6
[M+K]+ 602.04812 159.6
[M-H]- 562.07768 158.9
[M+Na-2H]- 584.05963 158.7
[M]+ 563.08441 159.2
[M]- 563.08551 159.2
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.