CID 146155338

2416234-55-2

Structural Information

Molecular Formula
C5H9NO3S
SMILES
COC(=O)C1CS(=N)(=O)C1
InChI
InChI=1S/C5H9NO3S/c1-9-5(7)4-2-10(6,8)3-4/h4,6H,2-3H2,1H3
InChIKey
VYRGEOIHOCPMIG-UHFFFAOYSA-N
Compound name
methyl 1-imino-1-oxothietane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.03032 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.037596 127.7
[M+Na]+ 186.019538 133.4
[M-H]- 162.023044 131.4
[M+NH4]+ 181.064143 143.5
[M+K]+ 201.993478 135.7
[M+H-H2O]+ 146.027580 117.7
[M+HCOO]- 208.028521 145.3
[M+CH3COO]- 222.044171 178.6
[M+Na-2H]- 184.004986 131.2
[M]+ 163.02977142 137.4
[M]- 163.03086858 137.4
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.