CID 607253

37123-75-4

Structural Information

Molecular Formula

C₈H₈N₂S₂

SMILES

C1CSCC2=C1C(=C(S2)N)C#N

InChI

InChI=1S/C8H8N2S2/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h1-2,4,10H2

InChIKey

FIVRDZOZCYROTQ-UHFFFAOYSA-N

Compound name

2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.0129 Da
Monoisotopic Mass: 2.0
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]+	197.02018	131.8
[M+Na]+	219.00212	141.2
[M+NH4]+	214.04672	138.7
[M+K]+	234.97606	130.9
[M-H]-	195.00562	127.9
[M+Na-2H]-	216.98757	133.8
[M]+	196.01235	132.0
[M]-	196.01345	132.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.