CID 137965720

2230799-91-2

Structural Information

Molecular Formula
C11H14F3NO4
SMILES
CC(C)(C)OC(=O)N1CCOC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C11H14F3NO4/c1-10(2,3)19-9(17)15-4-5-18-7(6-15)8(16)11(12,13)14/h6H,4-5H2,1-3H3
InChIKey
JBIBHODEOCVUHW-UHFFFAOYSA-N
Compound name
tert-butyl 6-(2,2,2-trifluoroacetyl)-2,3-dihydro-1,4-oxazine-4-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 157.4
[M+Na]+ 304.07672 164.2
[M-H]- 280.08022 156.3
[M+NH4]+ 299.12132 170.8
[M+K]+ 320.05066 164.6
[M+H-H2O]+ 264.08476 149.1
[M+HCOO]- 326.08570 169.4
[M+CH3COO]- 340.10135 196.5
[M+Na-2H]- 302.06217 160.9
[M]+ 281.08695 155.0
[M]- 281.08805 155.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.