CID 165789192

2825011-45-6

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)N1CCC1CS(=O)O
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-5-4-7(10)6-15(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
HUDGNBVKOTUBDY-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08783 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 151.2
[M+Na]+ 258.07705 154.7
[M-H]- 234.08055 151.5
[M+NH4]+ 253.12165 160.7
[M+K]+ 274.05099 157.2
[M+H-H2O]+ 218.08509 139.4
[M+HCOO]- 280.08603 161.7
[M+CH3COO]- 294.10168 188.8
[M+Na-2H]- 256.06250 150.3
[M]+ 235.08728 162.2
[M]- 235.08838 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.