CID 139598009

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

Structural Information

Molecular Formula
C14H20F11N2O4S
SMILES
C[N+](C)(C)CCCN(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/C14H19F11N2O4S/c1-27(2,3)8-4-6-26(7-5-9(28)29)32(30,31)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h4-8H2,1-3H3/p+1
InChIKey
YIXDWVZQHRVKRT-UHFFFAOYSA-O
Compound name
3-[2-carboxyethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.0968 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.10408 172.4
[M+Na]+ 544.08602 173.6
[M+NH4]+ 539.13062 174.3
[M+K]+ 560.05996 174.9
[M-H]- 520.08952 171.9
[M+Na-2H]- 542.07147 171.1
[M]+ 521.09625 173.0
[M]- 521.09735 173.0
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.