CID 65548021

4-(2,2,2-trifluoroethyl)morpholine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H10F3NO3
SMILES
C1COCC(N1CC(F)(F)F)C(=O)O
InChI
InChI=1S/C7H10F3NO3/c8-7(9,10)4-11-1-2-14-3-5(11)6(12)13/h5H,1-4H2,(H,12,13)
InChIKey
PBEWWSRVKBTENP-UHFFFAOYSA-N
Compound name
4-(2,2,2-trifluoroethyl)morpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.06128 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06856 141.4
[M+Na]+ 236.05050 147.7
[M-H]- 212.05400 138.4
[M+NH4]+ 231.09510 156.4
[M+K]+ 252.02444 147.3
[M+H-H2O]+ 196.05854 133.0
[M+HCOO]- 258.05948 153.6
[M+CH3COO]- 272.07513 181.6
[M+Na-2H]- 234.03595 145.2
[M]+ 213.06073 134.7
[M]- 213.06183 134.7
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.