CID 139597193

N-(carboxymethyl)-n,n-dimethyl-3-[[(perfluoropentyl)sulfonyl]amino]propanaminium

Structural Information

Molecular Formula
C12H16F11N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C12H15F11N2O4S/c1-25(2,6-7(26)27)5-3-4-24-30(28,29)12(22,23)10(17,18)8(13,14)9(15,16)11(19,20)21/h24H,3-6H2,1-2H3/p+1
InChIKey
SZVCFALUFWYFMZ-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.06552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.07280 170.5
[M+Na]+ 516.05474 171.7
[M+NH4]+ 511.09934 172.4
[M+K]+ 532.02868 173.0
[M-H]- 492.05824 169.9
[M+Na-2H]- 514.04019 169.3
[M]+ 493.06497 171.1
[M]- 493.06607 171.1
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.