CID 11818354

1027461-31-9

Structural Information

Molecular Formula
C11H14F3NO4
SMILES
CC(C)(C)OC(=O)N1CCC(C1=O)C(=O)C(F)(F)F
InChI
InChI=1S/C11H14F3NO4/c1-10(2,3)19-9(18)15-5-4-6(8(15)17)7(16)11(12,13)14/h6H,4-5H2,1-3H3
InChIKey
NACBMNLTYPLOGJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-3-(2,2,2-trifluoroacetyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0875 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09478 156.7
[M+Na]+ 304.07672 164.3
[M-H]- 280.08022 155.3
[M+NH4]+ 299.12132 173.3
[M+K]+ 320.05066 163.5
[M+H-H2O]+ 264.08476 149.6
[M+HCOO]- 326.08570 170.4
[M+CH3COO]- 340.10135 196.6
[M+Na-2H]- 302.06217 156.8
[M]+ 281.08695 154.0
[M]- 281.08805 154.0
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.