CID 55266316

2377035-65-7

Structural Information

Molecular Formula

SMILES

C1CS(=N)(=O)CCO1

InChI

InChI=1S/C4H9NO2S/c5-8(6)3-1-7-2-4-8/h5H,1-4H2

InChIKey

UGKYIHYYWHSBPK-UHFFFAOYSA-N

Compound name

4-imino-1,4-oxathiane 4-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 135.0354 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]+	136.04268	124.1
[M+Na]+	158.02462	133.9
[M+NH4]+	153.06922	134.3
[M+K]+	173.99856	125.5
[M-H]-	134.02812	127.2
[M+Na-2H]-	156.01007	130.2
[M]+	135.03485	126.7
[M]-	135.03595	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe