CID 58348223

Sodium {1-[(tert-butoxy)carbonyl]azetidin-3-yl}methanesulfinate

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)N1CC(C1)CS(=O)O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-4-7(5-10)6-15(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
DGZNFXCFUCEEAS-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 153.2
[M+Na]+ 258.07705 155.8
[M+NH4]+ 253.12165 154.5
[M+K]+ 274.05099 154.0
[M-H]- 234.08055 147.7
[M+Na-2H]- 256.06250 151.2
[M]+ 235.08728 150.9
[M]- 235.08838 150.9
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.