CID 80518945

2060037-69-4

Structural Information

Molecular Formula
C7H13NO4S
SMILES
COC(=O)CC1CS(=O)(=O)CCN1
InChI
InChI=1S/C7H13NO4S/c1-12-7(9)4-6-5-13(10,11)3-2-8-6/h6,8H,2-5H2,1H3
InChIKey
LDOCSOCULSGGNH-UHFFFAOYSA-N
Compound name
methyl 2-(1,1-dioxo-1,4-thiazinan-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05653 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063806 140.7
[M+Na]+ 230.045748 147.4
[M-H]- 206.049254 141.2
[M+NH4]+ 225.090353 159.8
[M+K]+ 246.019688 145.8
[M+H-H2O]+ 190.053790 135.7
[M+HCOO]- 252.054731 153.9
[M+CH3COO]- 266.070381 176.9
[M+Na-2H]- 228.031196 143.2
[M]+ 207.05598142 140.3
[M]- 207.05707858 140.3
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.