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]+ 229.128416 145.6
[M+Na]+ 251.110358 151.3
[M-H]- 227.113864 143.9
[M+NH4]+ 246.154963 162.8
[M+K]+ 267.084298 145.9
[M+H-H2O]+ 211.118400 140.2
[M+HCOO]- 273.119341 159.0
[M+CH3COO]- 287.134991 180.0
[M+Na-2H]- 249.095806 154.5
[M]+ 228.12059142 139.6
[M]- 228.12168858 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.