CID 14496536

N-betaine propyl perfluorodecane amide

Structural Information

Molecular Formula
C17H16F19N2O3
SMILES
C[N+](C)(CCCNC(=O)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)CC(=O)O
InChI
InChI=1S/C17H15F19N2O3/c1-38(2,6-7(39)40)5-3-4-37-8(41)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)36/h3-6H2,1-2H3,(H-,37,39,40,41)/p+1
InChIKey
SIPZTYNQWUTWPT-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

657.08575 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.09303 214.3
[M+Na]+ 680.07497 219.4
[M-H]- 656.07847 229.6
[M+NH4]+ 675.11957 226.4
[M+K]+ 696.04891 228.9
[M+H-H2O]+ 640.08301 196.9
[M+HCOO]- 702.08395 229.3
[M+CH3COO]- 716.09960 257.6
[M+Na-2H]- 678.06042 210.7
[M]+ 657.08520 208.7
[M]- 657.08630 208.7
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.