CID 137951625

Methyl oxane-4-carbothioate

Structural Information

Molecular Formula

C₇H₁₂O₂S

SMILES

COC(=S)C1CCOCC1

InChI

InChI=1S/C7H12O2S/c1-8-7(10)6-2-4-9-5-3-6/h6H,2-5H2,1H3

InChIKey

HSRYVVYWEASVIY-UHFFFAOYSA-N

Compound name

O-methyl oxane-4-carbothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.0558 Da
Monoisotopic Mass: 1.0
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]+	161.06308	132.9
[M+Na]+	183.04502	143.1
[M+NH4]+	178.08962	142.0
[M+K]+	199.01896	136.1
[M-H]-	159.04852	135.9
[M+Na-2H]-	181.03047	136.8
[M]+	160.05525	135.6
[M]-	160.05635	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.