CID 139596167

2-hydroxy-n,n-dimethyl-3-sulfo-n-[3-[[(perfluoropropyl)sulfonyl]amino]propyl]-1-propanaminium

Structural Information

Molecular Formula
C11H20F7N2O6S2
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O
InChI
InChI=1S/C11H19F7N2O6S2/c1-20(2,6-8(21)7-27(22,23)24)5-3-4-19-28(25,26)11(17,18)9(12,13)10(14,15)16/h8,19,21H,3-7H2,1-2H3/p+1
InChIKey
MXUUQVSLPWLSPB-UHFFFAOYSA-O
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.0651 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.07238 184.0
[M+Na]+ 496.05432 186.6
[M-H]- 472.05782 189.5
[M+NH4]+ 491.09892 189.1
[M+K]+ 512.02826 187.0
[M+H-H2O]+ 456.06236 169.3
[M+HCOO]- 518.06330 201.0
[M+CH3COO]- 532.07895 220.2
[M+Na-2H]- 494.03977 176.8
[M]+ 473.06455 183.8
[M]- 473.06565 183.8
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.