CID 737743

150986-82-6

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1COCC2=C1C(=C(S2)N)C#N
InChI
InChI=1S/C8H8N2OS/c9-3-6-5-1-2-11-4-7(5)12-8(6)10/h1-2,4,10H2
InChIKey
XCCSOSJCWRZLPA-UHFFFAOYSA-N
Compound name
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

180.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 139.4
[M+Na]+ 203.02496 150.9
[M-H]- 179.02846 144.3
[M+NH4]+ 198.06956 159.5
[M+K]+ 218.99890 147.5
[M+H-H2O]+ 163.03300 128.3
[M+HCOO]- 225.03394 153.7
[M+CH3COO]- 239.04959 151.8
[M+Na-2H]- 201.01041 142.8
[M]+ 180.03519 134.5
[M]- 180.03629 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe