CID 138394439

N-betaine propyl perfluoroheptane amide

Structural Information

Molecular Formula
C14H16F13N2O3
SMILES
C[N+](C)(CCCNC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C14H15F13N2O3/c1-29(2,6-7(30)31)5-3-4-28-8(32)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3-6H2,1-2H3,(H-,28,30,31,32)/p+1
InChIKey
ZLXHLIZSFKQSIT-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.09534 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.10262 163.8
[M+Na]+ 530.08456 164.4
[M+NH4]+ 525.12916 164.9
[M+K]+ 546.05850 165.1
[M-H]- 506.08806 163.5
[M+Na-2H]- 528.07001 163.0
[M]+ 507.09479 164.1
[M]- 507.09589 164.1
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.