CID 84656846

2770359-63-0

Structural Information

Molecular Formula
C5H9NO4S
SMILES
COC(=O)C1(CS(=O)(=O)C1)N
InChI
InChI=1S/C5H9NO4S/c1-10-4(7)5(6)2-11(8,9)3-5/h2-3,6H2,1H3
InChIKey
FJLZQDNQDBVTKW-UHFFFAOYSA-N
Compound name
methyl 3-amino-1,1-dioxothietane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 131.5
[M+Na]+ 202.014438 137.6
[M-H]- 178.017944 134.7
[M+NH4]+ 197.059043 148.0
[M+K]+ 217.988378 140.1
[M+H-H2O]+ 162.022480 122.8
[M+HCOO]- 224.023421 148.4
[M+CH3COO]- 238.039071 179.9
[M+Na-2H]- 199.999886 135.5
[M]+ 179.02467142 142.0
[M]- 179.02576858 142.0
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.