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

52
Patents

180.03574 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.043016 139.4
[M+Na]+ 203.024958 150.9
[M-H]- 179.028464 144.3
[M+NH4]+ 198.069563 159.5
[M+K]+ 218.998898 147.5
[M+H-H2O]+ 163.033000 128.3
[M+HCOO]- 225.033941 153.7
[M+CH3COO]- 239.049591 151.8
[M+Na-2H]- 201.010406 142.8
[M]+ 180.03519142 134.5
[M]- 180.03628858 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