CID 138394443

N-betaine propyl perfluoroundecane amide

Structural Information

Molecular Formula
C18H16F21N2O3
SMILES
C[N+](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)CC(=O)O
InChI
InChI=1S/C18H15F21N2O3/c1-41(2,6-7(42)43)5-3-4-40-8(44)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h3-6H2,1-2H3,(H-,40,42,43,44)/p+1
InChIKey
LKAALQCVMWYDMN-UHFFFAOYSA-O
Compound name
carboxymethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

707.0826 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.08988 221.6
[M+Na]+ 730.07182 226.0
[M-H]- 706.07532 237.6
[M+NH4]+ 725.11642 234.2
[M+K]+ 746.04576 237.2
[M+H-H2O]+ 690.07986 203.7
[M+HCOO]- 752.08080 236.0
[M+CH3COO]- 766.09645 263.3
[M+Na-2H]- 728.05727 218.4
[M]+ 707.08205 216.2
[M]- 707.08315 216.2
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.