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
2
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 188.8
[M+Na]+ 516.05474 194.2
[M-H]- 492.05824 198.0
[M+NH4]+ 511.09934 196.8
[M+K]+ 532.02868 196.7
[M+H-H2O]+ 476.06278 173.6
[M+HCOO]- 538.06372 207.6
[M+CH3COO]- 552.07937 229.7
[M+Na-2H]- 514.04019 183.4
[M]+ 493.06497 186.3
[M]- 493.06607 186.3
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.