CID 138396251

N-(2-carboxyethyl)-n,n-dimethyl-3-[(perfluoro-1-oxodecyl)amino]propanaminium

Structural Information

Molecular Formula
C18H18F19N2O3
SMILES
C[N+](C)(CCCNC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)O
InChI
InChI=1S/C18H17F19N2O3/c1-39(2,7-4-8(40)41)6-3-5-38-9(42)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h3-7H2,1-2H3,(H-,38,40,41,42)/p+1
InChIKey
MYTOORQJRVEUKE-UHFFFAOYSA-O
Compound name
2-carboxyethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

671.1014 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.10868 217.7
[M+Na]+ 694.09062 222.6
[M-H]- 670.09412 232.7
[M+NH4]+ 689.13522 229.7
[M+K]+ 710.06456 232.5
[M+H-H2O]+ 654.09866 200.2
[M+HCOO]- 716.09960 232.3
[M+CH3COO]- 730.11525 259.9
[M+Na-2H]- 692.07607 213.7
[M]+ 671.10085 212.1
[M]- 671.10195 212.1
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.