CID 59373388

2-amino-4h,5h,7h-thieno[2,3-c]thiopyran-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2S2
SMILES
C1CSCC2=C1C(=C(S2)N)C(=O)O
InChI
InChI=1S/C8H9NO2S2/c9-7-6(8(10)11)4-1-2-12-3-5(4)13-7/h1-3,9H2,(H,10,11)
InChIKey
KJRCJPRGCXZYII-UHFFFAOYSA-N
Compound name
2-amino-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.00748 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.014756 141.2
[M+Na]+ 237.996698 149.1
[M-H]- 214.000204 143.6
[M+NH4]+ 233.041303 162.2
[M+K]+ 253.970638 144.7
[M+H-H2O]+ 198.004740 137.1
[M+HCOO]- 260.005681 151.4
[M+CH3COO]- 274.021331 183.1
[M+Na-2H]- 235.982146 141.2
[M]+ 215.00693142 140.1
[M]- 215.00802858 140.1
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