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

4
Patents

215.00748 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01476 140.6
[M+Na]+ 237.99670 148.7
[M+NH4]+ 233.04130 149.7
[M+K]+ 253.97064 142.4
[M-H]- 214.00020 142.3
[M+Na-2H]- 235.98215 142.8
[M]+ 215.00693 142.9
[M]- 215.00803 142.9
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