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]+ 236.095106 151.2
[M+Na]+ 258.077048 154.7
[M-H]- 234.080554 151.5
[M+NH4]+ 253.121653 160.7
[M+K]+ 274.050988 157.2
[M+H-H2O]+ 218.085090 139.4
[M+HCOO]- 280.086031 161.7
[M+CH3COO]- 294.101681 188.8
[M+Na-2H]- 256.062496 150.3
[M]+ 235.08728142 162.2
[M]- 235.08837858 162.2
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.