CID 73553895

Ethyl n-boc-2-thiomorpholinecarboxylate

Structural Information

Molecular Formula
C12H21NO4S
SMILES
CCOC(=O)C1CN(CCS1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H21NO4S/c1-5-16-10(14)9-8-13(6-7-18-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
AULIHHKCGONFAV-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 2-O-ethyl thiomorpholine-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12642 164.2
[M+Na]+ 298.10836 171.5
[M+NH4]+ 293.15296 169.9
[M+K]+ 314.08230 166.6
[M-H]- 274.11186 162.7
[M+Na-2H]- 296.09381 165.3
[M]+ 275.11859 164.9
[M]- 275.11969 164.9
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.