CID 146082319

2408970-65-8

Structural Information

Molecular Formula
C11H16F3NO5
SMILES
CC(C)(C)OC(=O)N1CC(OC(C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H16F3NO5/c1-10(2,3)20-9(18)15-4-6(8(16)17)19-7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKey
JNLBYSPFJKEBGY-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.09805 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10533 161.6
[M+Na]+ 322.08727 167.7
[M-H]- 298.09077 159.0
[M+NH4]+ 317.13187 173.6
[M+K]+ 338.06121 168.1
[M+H-H2O]+ 282.09531 153.7
[M+HCOO]- 344.09625 170.8
[M+CH3COO]- 358.11190 197.9
[M+Na-2H]- 320.07272 163.3
[M]+ 299.09750 157.7
[M]- 299.09860 157.7
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.