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

2
Patents

275.11914 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.126416 163.8
[M+Na]+ 298.108358 168.1
[M-H]- 274.111864 165.1
[M+NH4]+ 293.152963 179.1
[M+K]+ 314.082298 167.4
[M+H-H2O]+ 258.116400 157.4
[M+HCOO]- 320.117341 174.3
[M+CH3COO]- 334.132991 194.8
[M+Na-2H]- 296.093806 162.8
[M]+ 275.11859142 166.0
[M]- 275.11968858 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

patents stripe