CID 139595257

N,n,n-trimethyl-3-[methyl[(perfluoropentyl)sulfonyl]amino]-1-propanaminium

Structural Information

Molecular Formula
C12H18F11N2O2S
SMILES
CN(CCC[N+](C)(C)C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H18F11N2O2S/c1-24(6-5-7-25(2,3)4)28(26,27)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h5-7H2,1-4H3/q+1
InChIKey
HLRMXWITAUKISG-UHFFFAOYSA-N
Compound name
trimethyl-[3-[methyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.09134 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.09862 171.0
[M+Na]+ 486.08056 172.2
[M+NH4]+ 481.12516 172.9
[M+K]+ 502.05450 173.4
[M-H]- 462.08406 170.4
[M+Na-2H]- 484.06601 169.8
[M]+ 463.09079 171.5
[M]- 463.09189 171.5
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.