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 163.8
[M+Na]+ 298.10836 168.1
[M-H]- 274.11186 165.1
[M+NH4]+ 293.15296 179.1
[M+K]+ 314.08230 167.4
[M+H-H2O]+ 258.11640 157.4
[M+HCOO]- 320.11734 174.3
[M+CH3COO]- 334.13299 194.8
[M+Na-2H]- 296.09381 162.8
[M]+ 275.11859 166.0
[M]- 275.11969 166.0
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.