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]+ 214.068556 141.4
[M+Na]+ 236.050498 147.4
[M-H]- 212.054004 139.6
[M+NH4]+ 231.095103 157.1
[M+K]+ 252.024438 148.0
[M+H-H2O]+ 196.058540 132.6
[M+HCOO]- 258.059481 155.2
[M+CH3COO]- 272.075131 181.7
[M+Na-2H]- 234.035946 146.4
[M]+ 213.06073142 136.1
[M]- 213.06182858 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.