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]+ 197.02018 146.8
[M+Na]+ 219.00212 158.6
[M-H]- 195.00562 151.4
[M+NH4]+ 214.04672 167.7
[M+K]+ 234.97606 153.4
[M+H-H2O]+ 179.01016 136.3
[M+HCOO]- 241.01110 156.2
[M+CH3COO]- 255.02675 158.4
[M+Na-2H]- 216.98757 147.5
[M]+ 196.01235 141.5
[M]- 196.01345 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.