CID 162396594

Dtxsid301032550

Structural Information

Molecular Formula
C14H16F15N2O2
SMILES
C[N+](C)(C)CCCNC(=O)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F15N2O2/c1-31(2,3)6-4-5-30-7(32)8(15,16)9(17,18)10(19,20)14(28,29)33-11(21,12(22,23)24)13(25,26)27/h4-6H2,1-3H3/p+1
InChIKey
VRCJLEQJCVWSDW-UHFFFAOYSA-O
Compound name
trimethyl-[3-[[2,2,3,3,4,4,5,5-octafluoro-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentanoyl]amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

529.0972 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.10448 199.3
[M+Na]+ 552.08642 206.5
[M-H]- 528.08992 210.7
[M+NH4]+ 547.13102 209.5
[M+K]+ 568.06036 211.6
[M+H-H2O]+ 512.09446 184.1
[M+HCOO]- 574.09540 218.6
[M+CH3COO]- 588.11105 242.2
[M+Na-2H]- 550.07187 195.5
[M]+ 529.09665 194.7
[M]- 529.09775 194.7
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.