CID 138396257

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

Structural Information

Molecular Formula
C17H18F17N2O3
SMILES
C[N+](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)CCC(=O)O
InChI
InChI=1S/C17H17F17N2O3/c1-36(2,7-4-8(37)38)6-3-5-35-9(39)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h3-7H2,1-2H3,(H-,35,37,38,39)/p+1
InChIKey
ZGBMFNJIPSRTBS-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.1046 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.11188 155.8
[M+Na]+ 644.09382 156.0
[M+NH4]+ 639.13842 156.1
[M+K]+ 660.06776 156.1
[M-H]- 620.09732 155.8
[M+Na-2H]- 642.07927 155.6
[M]+ 621.10405 155.9
[M]- 621.10515 155.9
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.