CID 165674478

Methyl 6-(trifluoromethyl)morpholine-2-carboxylate hydrochloride

Structural Information

Molecular Formula

C₇H₁₀F₃NO₃

SMILES

COC(=O)C1CNCC(O1)C(F)(F)F

InChI

InChI=1S/C7H10F3NO3/c1-13-6(12)4-2-11-3-5(14-4)7(8,9)10/h4-5,11H,2-3H2,1H3

InChIKey

YJPKFFBPYOQFGA-UHFFFAOYSA-N

Compound name

methyl 6-(trifluoromethyl)morpholine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.06128 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.068556	141.6
[M+Na]+	236.050498	148.0
[M-H]-	212.054004	138.7
[M+NH4]+	231.095103	156.8
[M+K]+	252.024438	147.7
[M+H-H2O]+	196.058540	133.3
[M+HCOO]-	258.059481	153.9
[M+CH3COO]-	272.075131	180.9
[M+Na-2H]-	234.035946	145.4
[M]+	213.06073142	134.8
[M]-	213.06182858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.