CID 155970364

2639442-73-0

Structural Information

Molecular Formula
C12H18F3NO5
SMILES
CC(C)(C)OC(=O)N1CC(OCC1CC(=O)O)C(F)(F)F
InChI
InChI=1S/C12H18F3NO5/c1-11(2,3)21-10(19)16-5-8(12(13,14)15)20-6-7(16)4-9(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKey
WBCJCDMARGMSQX-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1137 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12098 166.3
[M+Na]+ 336.10292 171.9
[M-H]- 312.10642 163.5
[M+NH4]+ 331.14752 177.8
[M+K]+ 352.07686 172.2
[M+H-H2O]+ 296.11096 158.2
[M+HCOO]- 358.11190 175.1
[M+CH3COO]- 372.12755 200.9
[M+Na-2H]- 334.08837 167.5
[M]+ 313.11315 162.8
[M]- 313.11425 162.8
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.