CID 15367

Thiane

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

C1CCSCC1

InChI

InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2

InChIKey

YPWFISCTZQNZAU-UHFFFAOYSA-N

Compound name

thiane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 29
References: 86355
Patents: 102.05032 Da
Monoisotopic Mass: 1.7
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]+	103.05760	117.9
[M+Na]+	125.03954	123.2
[M-H]-	101.04304	121.0
[M+NH4]+	120.08414	141.1
[M+K]+	141.01348	122.4
[M+H-H2O]+	85.047580	112.9
[M+HCOO]-	147.04852	134.1
[M+CH3COO]-	161.06417	163.4
[M+Na-2H]-	123.02499	122.4
[M]+	102.04977	113.9
[M]-	102.05087	113.9

Literature stripe

literature stripe

Patent stripe

patents stripe