CID 142713

Thiacyclohexane, 4-methylene

Structural Information

Molecular Formula

C₆H₁₀S

SMILES

C=C1CCSCC1

InChI

InChI=1S/C6H10S/c1-6-2-4-7-5-3-6/h1-5H2

InChIKey

BOJWREQWHOWAEL-UHFFFAOYSA-N

Compound name

4-methylidenethiane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 114.05032 Da
Monoisotopic Mass: 1.6
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]+	115.05760	120.7
[M+Na]+	137.03954	126.8
[M-H]-	113.04304	124.0
[M+NH4]+	132.08414	143.7
[M+K]+	153.01348	125.1
[M+H-H2O]+	97.047580	115.9
[M+HCOO]-	159.04852	136.8
[M+CH3COO]-	173.06417	166.5
[M+Na-2H]-	135.02499	124.1
[M]+	114.04977	116.8
[M]-	114.05087	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe