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

6
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

literature stripe

Patent stripe

patents stripe