CID 146155338

2416234-55-2

Structural Information

Molecular Formula

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	164.03760	132.1
[M+Na]+	186.01954	136.1
[M+NH4]+	181.06414	136.6
[M+K]+	201.99348	131.0
[M-H]-	162.02304	129.3
[M+Na-2H]-	184.00499	134.1
[M]+	163.02977	130.9
[M]-	163.03087	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.