CID 526191

2-tetrahydrothiophenethiol

Structural Information

Molecular Formula

C₄H₈S₂

SMILES

C1CC(SC1)S

InChI

InChI=1S/C4H8S2/c5-4-2-1-3-6-4/h4-5H,1-3H2

InChIKey

MBURDTXKYKCZEZ-UHFFFAOYSA-N

Compound name

thiolane-2-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 120.006744 Da
Monoisotopic Mass: 1.8
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]+	121.014020	120.7
[M+Na]+	142.995962	129.0
[M-H]-	118.999468	124.5
[M+NH4]+	138.040567	145.7
[M+K]+	158.969902	127.3
[M+H-H2O]+	103.004004	116.4
[M+HCOO]-	165.004945	133.7
[M+CH3COO]-	179.020595	166.6
[M+Na-2H]-	140.981410	121.0
[M]+	120.00619542	120.1
[M]-	120.00729258	120.1

Literature stripe

literature stripe

Patent stripe

patents stripe