CID 15579283

N-dimethyl ammonio propyl-perfluorooctane amide

Structural Information

Molecular Formula
C13H13F15N2O
SMILES
CN(C)CCCNC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H13F15N2O/c1-30(2)5-3-4-29-6(31)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h3-5H2,1-2H3,(H,29,31)
InChIKey
STMOMAISLIDGHH-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

498.07883 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.08611 179.7
[M+Na]+ 521.06805 189.3
[M-H]- 497.07155 189.9
[M+NH4]+ 516.11265 190.4
[M+K]+ 537.04199 195.1
[M+H-H2O]+ 481.07609 170.5
[M+HCOO]- 543.07703 194.3
[M+CH3COO]- 557.09268 245.3
[M+Na-2H]- 519.05350 178.4
[M]+ 498.07828 175.1
[M]- 498.07938 175.1
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.