CID 122604340

2023006-41-7

Structural Information

Molecular Formula
C9H17NO6S
SMILES
CC(C)(C)OC(=O)N1[C@H](COS1(=O)=O)COC
InChI
InChI=1S/C9H17NO6S/c1-9(2,3)16-8(11)10-7(5-14-4)6-15-17(10,12)13/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
ORWHXHCSDYWSCI-ZETCQYMHSA-N
Compound name
tert-butyl (4S)-4-(methoxymethyl)-2,2-dioxooxathiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

267.07767 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08495 153.5
[M+Na]+ 290.06689 162.0
[M-H]- 266.07039 156.9
[M+NH4]+ 285.11149 172.1
[M+K]+ 306.04083 163.3
[M+H-H2O]+ 250.07493 149.8
[M+HCOO]- 312.07587 168.0
[M+CH3COO]- 326.09152 189.7
[M+Na-2H]- 288.05234 156.5
[M]+ 267.07712 161.1
[M]- 267.07822 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe