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]+ 314.120976 166.3
[M+Na]+ 336.102918 171.9
[M-H]- 312.106424 163.5
[M+NH4]+ 331.147523 177.8
[M+K]+ 352.076858 172.2
[M+H-H2O]+ 296.110960 158.2
[M+HCOO]- 358.111901 175.1
[M+CH3COO]- 372.127551 200.9
[M+Na-2H]- 334.088366 167.5
[M]+ 313.11315142 162.8
[M]- 313.11424858 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.