CID 132934605

N-betaine propyl perfluorooctane amide

Structural Information

Molecular Formula
C15H16F15N2O3
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)CC(=O)O
InChI
InChI=1S/C15H15F15N2O3/c1-32(2,6-7(33)34)5-3-4-31-8(35)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h3-6H2,1-2H3,(H-,31,33,34,35)/p+1
InChIKey
FTAFFTSOJBRORR-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

557.09216 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.09944 200.0
[M+Na]+ 580.08138 206.5
[M-H]- 556.08488 213.2
[M+NH4]+ 575.12598 210.4
[M+K]+ 596.05532 212.2
[M+H-H2O]+ 540.08942 184.3
[M+HCOO]- 602.09036 215.9
[M+CH3COO]- 616.10601 244.0
[M+Na-2H]- 578.06683 195.9
[M]+ 557.09161 194.2
[M]- 557.09271 194.2
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.