CID 3073043

N,n-dimethyl-n-(3-f-octylpropyl)-6-ammoniohexanoate

Structural Information

Molecular Formula
C19H23F17NO2
SMILES
C[N+](C)(CCCCCC(=O)O)CCCC(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/C19H22F17NO2/c1-37(2,9-5-3-4-7-11(38)39)10-6-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-10H2,1-2H3/p+1
InChIKey
NCHHIFOOABLJFB-UHFFFAOYSA-O
Compound name
5-carboxypentyl-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

620.14575 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.15303 155.9
[M+Na]+ 643.13497 156.0
[M+NH4]+ 638.17957 156.1
[M+K]+ 659.10891 156.1
[M-H]- 619.13847 155.8
[M+Na-2H]- 641.12042 155.7
[M]+ 620.14520 156.0
[M]- 620.14630 156.0
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.