CID 138039673

2241129-90-6

Structural Information

Molecular Formula
C9H18N2O3S
SMILES
CC(C)(C)OC(=O)N1CC(C1)S(=N)(=O)C
InChI
InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-5-7(6-11)15(4,10)13/h7,10H,5-6H2,1-4H3
InChIKey
XBAGTXLLGNUZGR-UHFFFAOYSA-N
Compound name
tert-butyl 3-(methylsulfonimidoyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10382 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11110 152.6
[M+Na]+ 257.09304 156.6
[M-H]- 233.09654 154.3
[M+NH4]+ 252.13764 162.6
[M+K]+ 273.06698 158.6
[M+H-H2O]+ 217.10108 140.6
[M+HCOO]- 279.10202 164.8
[M+CH3COO]- 293.11767 192.7
[M+Na-2H]- 255.07849 154.3
[M]+ 234.10327 162.5
[M]- 234.10437 162.5
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.