CID 101731127

Ns00114971

Structural Information

Molecular Formula
C9H17F3NO2
SMILES
C[N+]1(CCOCC1)CCOCC(F)(F)F
InChI
InChI=1S/C9H17F3NO2/c1-13(2-5-14-6-3-13)4-7-15-8-9(10,11)12/h2-8H2,1H3/q+1
InChIKey
FYEKZBJDOPQHCJ-UHFFFAOYSA-N
Compound name
4-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.12114 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12842 145.6
[M+Na]+ 251.11036 151.3
[M-H]- 227.11386 143.9
[M+NH4]+ 246.15496 162.8
[M+K]+ 267.08430 145.9
[M+H-H2O]+ 211.11840 140.2
[M+HCOO]- 273.11934 159.0
[M+CH3COO]- 287.13499 180.0
[M+Na-2H]- 249.09581 154.5
[M]+ 228.12059 139.6
[M]- 228.12169 139.6
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.