CID 165943850

Tert-butyl 5-formyl-2-(trifluoromethyl)morpholine-4-carboxylate

Structural Information

Molecular Formula
C11H16F3NO4
SMILES
CC(C)(C)OC(=O)N1CC(OCC1C=O)C(F)(F)F
InChI
InChI=1S/C11H16F3NO4/c1-10(2,3)19-9(17)15-4-8(11(12,13)14)18-6-7(15)5-16/h5,7-8H,4,6H2,1-3H3
InChIKey
HHPQTTRVQFZWNL-UHFFFAOYSA-N
Compound name
tert-butyl 5-formyl-2-(trifluoromethyl)morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10315 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11043 159.5
[M+Na]+ 306.09237 166.4
[M-H]- 282.09587 158.2
[M+NH4]+ 301.13697 173.0
[M+K]+ 322.06631 166.5
[M+H-H2O]+ 266.10041 151.3
[M+HCOO]- 328.10135 170.9
[M+CH3COO]- 342.11700 197.2
[M+Na-2H]- 304.07782 162.5
[M]+ 283.10260 156.6
[M]- 283.10370 156.6
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.