CID 155821620

2445786-93-4

Structural Information

Molecular Formula
C12H22N2O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2NCCCS2
InChI
InChI=1S/C12H22N2O2S/c1-12(2,3)16-11(15)14-7-9(8-14)10-13-5-4-6-17-10/h9-10,13H,4-8H2,1-3H3
InChIKey
NVZZXZLTDLECQA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1,3-thiazinan-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.1402 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14748 158.4
[M+Na]+ 281.12942 161.8
[M+NH4]+ 276.17402 161.1
[M+K]+ 297.10336 158.1
[M-H]- 257.13292 155.8
[M+Na-2H]- 279.11487 158.5
[M]+ 258.13965 157.1
[M]- 258.14075 157.1
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.