CID 139595650

3-[(2-carboxyethyl)[(perfluorohexyl)sulfonyl]amino]-n,n,n-trimethyl-1-propanaminium

Structural Information

Molecular Formula
C15H20F13N2O4S
SMILES
C[N+](C)(C)CCCN(CCC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H19F13N2O4S/c1-30(2,3)8-4-6-29(7-5-9(31)32)35(33,34)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h4-8H2,1-3H3/p+1
InChIKey
JUXSJDOYJDYZRI-UHFFFAOYSA-O
Compound name
3-[2-carboxyethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.0936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.10088 165.0
[M+Na]+ 594.08282 165.6
[M+NH4]+ 589.12742 166.0
[M+K]+ 610.05676 166.2
[M-H]- 570.08632 164.7
[M+Na-2H]- 592.06827 164.2
[M]+ 571.09305 165.3
[M]- 571.09415 165.3
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.