CID 139597361

4-(dimethylamino)-2-{[(perfluoropentyl)sulfonyl]amino}butanoic acid

Structural Information

Molecular Formula
C11H13F11N2O4S
SMILES
CN(C)CCC(C(=O)O)NS(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H13F11N2O4S/c1-24(2)4-3-5(6(25)26)23-29(27,28)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20/h5,23H,3-4H2,1-2H3,(H,25,26)
InChIKey
URGNYSYSQBGAJW-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

478.04202 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.049296 175.4
[M+Na]+ 501.031238 183.2
[M-H]- 477.034744 185.2
[M+NH4]+ 496.075843 185.8
[M+K]+ 517.005178 186.7
[M+H-H2O]+ 461.039280 167.1
[M+HCOO]- 523.040221 187.0
[M+CH3COO]- 537.055871 235.3
[M+Na-2H]- 499.016686 172.3
[M]+ 478.04147142 173.0
[M]- 478.04256858 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.