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

13
Patents

274.1351 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14238 165.2
[M+Na]+ 297.12432 168.3
[M-H]- 273.12782 168.0
[M+NH4]+ 292.16892 174.4
[M+K]+ 313.09826 171.1
[M+H-H2O]+ 257.13236 152.7
[M+HCOO]- 319.13330 177.0
[M+CH3COO]- 333.14895 203.3
[M+Na-2H]- 295.10977 165.0
[M]+ 274.13455 177.3
[M]- 274.13565 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