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 158.5
[M+Na]+ 281.12942 160.1
[M-H]- 257.13292 159.3
[M+NH4]+ 276.17402 165.7
[M+K]+ 297.10336 161.0
[M+H-H2O]+ 241.13746 145.3
[M+HCOO]- 303.13840 164.9
[M+CH3COO]- 317.15405 192.8
[M+Na-2H]- 279.11487 157.2
[M]+ 258.13965 163.3
[M]- 258.14075 163.3
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.