CID 16227146

2,2,2-trifluoroethyl morpholine-4-carboxylate

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
C1COCCN1C(=O)OCC(F)(F)F
InChI
InChI=1S/C7H10F3NO3/c8-7(9,10)5-14-6(12)11-1-3-13-4-2-11/h1-5H2
InChIKey
IXSSSPRZNUGFRT-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06128 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 141.4
[M+Na]+ 236.05050 147.4
[M-H]- 212.05400 139.6
[M+NH4]+ 231.09510 157.1
[M+K]+ 252.02444 148.0
[M+H-H2O]+ 196.05854 132.6
[M+HCOO]- 258.05948 155.2
[M+CH3COO]- 272.07513 181.7
[M+Na-2H]- 234.03595 146.4
[M]+ 213.06073 136.1
[M]- 213.06183 136.1
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.