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 141.2
[M+Na]+ 237.99670 149.1
[M-H]- 214.00020 143.6
[M+NH4]+ 233.04130 162.2
[M+K]+ 253.97064 144.7
[M+H-H2O]+ 198.00474 137.1
[M+HCOO]- 260.00568 151.4
[M+CH3COO]- 274.02133 183.1
[M+Na-2H]- 235.98215 141.2
[M]+ 215.00693 140.1
[M]- 215.00803 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