CID 170915280

Tert-butyl 2,2-diethyl-1-imino-1-oxo-1lambda6-thiomorpholine-4-carboxylate

Structural Information

Molecular Formula
C13H26N2O3S
SMILES
CCC1(CN(CCS1(=N)=O)C(=O)OC(C)(C)C)CC
InChI
InChI=1S/C13H26N2O3S/c1-6-13(7-2)10-15(8-9-19(13,14)17)11(16)18-12(3,4)5/h14H,6-10H2,1-5H3
InChIKey
CXLFQMPVTZCWDJ-UHFFFAOYSA-N
Compound name
tert-butyl 2,2-diethyl-1-imino-1-oxo-1,4-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1664 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.173676 163.2
[M+Na]+ 313.155618 169.2
[M-H]- 289.159124 164.8
[M+NH4]+ 308.200223 182.0
[M+K]+ 329.129558 167.5
[M+H-H2O]+ 273.163660 159.0
[M+HCOO]- 335.164601 175.1
[M+CH3COO]- 349.180251 200.2
[M+Na-2H]- 311.141066 166.2
[M]+ 290.16585142 164.9
[M]- 290.16694858 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.