CID 137417687

Schembl20651555

Structural Information

Molecular Formula

SMILES

CS(=N)(=O)C1COC1

InChI

InChI=1S/C4H9NO2S/c1-8(5,6)4-2-7-3-4/h4-5H,2-3H2,1H3

InChIKey

WNJNCGUYGUQWAP-UHFFFAOYSA-N

Compound name

imino-methyl-(oxetan-3-yl)-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 135.0354 Da
Monoisotopic Mass: 0.6
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	118.7
[M+Na]+	158.02462	124.1
[M-H]-	134.02812	122.9
[M+NH4]+	153.06922	132.6
[M+K]+	173.99856	127.4
[M+H-H2O]+	118.03266	108.0
[M+HCOO]-	180.03360	135.4
[M+CH3COO]-	194.04925	173.9
[M+Na-2H]-	156.01007	124.9
[M]+	135.03485	127.4
[M]-	135.03595	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe