CID 139595873

N-(2-carboxyethyl)-3-{ethyl[(undecafluoropentyl)sulfonyl]amino}-n,n-dimethyl-1-propanaminium

Structural Information

Molecular Formula
C15H22F11N2O4S
SMILES
CCN(CCC[N+](C)(C)CCC(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H21F11N2O4S/c1-4-27(7-5-8-28(2,3)9-6-10(29)30)33(31,32)15(25,26)13(20,21)11(16,17)12(18,19)14(22,23)24/h4-9H2,1-3H3/p+1
InChIKey
LBSPBWFYGOFCIQ-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

535.1125 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.11978 173.2
[M+Na]+ 558.10172 174.4
[M+NH4]+ 553.14632 175.1
[M+K]+ 574.07566 175.6
[M-H]- 534.10522 172.7
[M+Na-2H]- 556.08717 171.8
[M]+ 535.11195 173.8
[M]- 535.11305 173.8
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.