CID 71695453

933696-87-8

Structural Information

Molecular Formula

C₈H₁₁NS₂

SMILES

C1CSCC2=C1SC(=C2)CN

InChI

InChI=1S/C8H11NS2/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3H,1-2,4-5,9H2

InChIKey

QRLUPBTZWSNDJP-UHFFFAOYSA-N

Compound name

6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.0333 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]+	186.04058	134.0
[M+Na]+	208.02252	142.2
[M-H]-	184.02602	137.7
[M+NH4]+	203.06712	157.1
[M+K]+	223.99646	138.1
[M+H-H2O]+	168.03056	129.5
[M+HCOO]-	230.03150	146.3
[M+CH3COO]-	244.04715	146.9
[M+Na-2H]-	206.00797	135.4
[M]+	185.03275	132.8
[M]-	185.03385	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.