CID 101871186

N-[3-(dimethylamino)propyl]-perfluoroundecanamide

Structural Information

Molecular Formula
C16H13F21N2O
SMILES
CN(C)CCCNC(=O)C(C(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)(F)F)(F)F
InChI
InChI=1S/C16H13F21N2O/c1-39(2)5-3-4-38-6(40)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-5H2,1-2H3,(H,38,40)
InChIKey
OCNPDUCQWGCJRQ-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.0693 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.07658 153.1
[M+Na]+ 671.05852 153.1
[M+NH4]+ 666.10312 153.1
[M+K]+ 687.03246 153.1
[M-H]- 647.06202 153.1
[M+Na-2H]- 669.04397 153.1
[M]+ 648.06875 153.1
[M]- 648.06985 153.1
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.