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]+ 214.068556 141.4
[M+Na]+ 236.050498 147.7
[M-H]- 212.054004 138.4
[M+NH4]+ 231.095103 156.4
[M+K]+ 252.024438 147.3
[M+H-H2O]+ 196.058540 133.0
[M+HCOO]- 258.059481 153.6
[M+CH3COO]- 272.075131 181.6
[M+Na-2H]- 234.035946 145.2
[M]+ 213.06073142 134.7
[M]- 213.06182858 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.