CID 101150315

Perfluorooctaneamido amine oxide

Structural Information

Molecular Formula
C13H13F15N2O2
SMILES
C[N+](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)[O-]
InChI
InChI=1S/C13H13F15N2O2/c1-30(2,32)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
YHXVORTWNXVWIA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

514.0737 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.08098 196.9
[M+Na]+ 537.06292 202.5
[M-H]- 513.06642 206.5
[M+NH4]+ 532.10752 206.1
[M+K]+ 553.03686 211.4
[M+H-H2O]+ 497.07096 177.6
[M+HCOO]- 559.07190 214.5
[M+CH3COO]- 573.08755 237.3
[M+Na-2H]- 535.04837 192.6
[M]+ 514.07315 190.6
[M]- 514.07425 190.6
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.