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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.020176 146.8
[M+Na]+ 219.002118 158.6
[M-H]- 195.005624 151.4
[M+NH4]+ 214.046723 167.7
[M+K]+ 234.976058 153.4
[M+H-H2O]+ 179.010160 136.3
[M+HCOO]- 241.011101 156.2
[M+CH3COO]- 255.026751 158.4
[M+Na-2H]- 216.987566 147.5
[M]+ 196.01235142 141.5
[M]- 196.01344858 141.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.