CID 139594746

N,n-dimethyl-n-{2-oxo-2-[(propan-2-yl)oxy]ethyl}-3-(perfluorononanamido)propan-1-aminium

Structural Information

Molecular Formula
C19H22F17N2O3
SMILES
CC(C)OC(=O)C[N+](C)(C)CCCNC(=O)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
InChI
InChI=1S/C19H21F17N2O3/c1-9(2)41-10(39)8-38(3,4)7-5-6-37-11(40)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9H,5-8H2,1-4H3/p+1
InChIKey
DLKJKOKTLCHZLW-UHFFFAOYSA-O
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)propyl-dimethyl-(2-oxo-2-propan-2-yloxyethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

649.1359 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.14318 221.9
[M+Na]+ 672.12512 228.5
[M-H]- 648.12862 237.1
[M+NH4]+ 667.16972 236.3
[M+K]+ 688.09906 237.5
[M+H-H2O]+ 632.13316 206.3
[M+HCOO]- 694.13410 235.6
[M+CH3COO]- 708.14975 260.2
[M+Na-2H]- 670.11057 217.6
[M]+ 649.13535 217.1
[M]- 649.13645 217.1
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.