CID 56776988

Tert-butyl 3-[(2-methylpropane-2-sulfinyl)imino]azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O3S
SMILES
CC(C)(C)OC(=O)N1CC(=NS(=O)C(C)(C)C)C1
InChI
InChI=1S/C12H22N2O3S/c1-11(2,3)17-10(15)14-7-9(8-14)13-18(16)12(4,5)6/h7-8H2,1-6H3
InChIKey
JOBIXWHPZPUSTM-UHFFFAOYSA-N
Compound name
tert-butyl 3-tert-butylsulfinyliminoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

274.1351 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.142376 165.2
[M+Na]+ 297.124318 168.3
[M-H]- 273.127824 168.0
[M+NH4]+ 292.168923 174.4
[M+K]+ 313.098258 171.1
[M+H-H2O]+ 257.132360 152.7
[M+HCOO]- 319.133301 177.0
[M+CH3COO]- 333.148951 203.3
[M+Na-2H]- 295.109766 165.0
[M]+ 274.13455142 177.3
[M]- 274.13564858 177.3
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

patents stripe