CID 141441408

2551119-51-6

Structural Information

Molecular Formula
C8H9NO3S
SMILES
C1COCC2=C1SC(=C2C(=O)O)N
InChI
InChI=1S/C8H9NO3S/c9-7-6(8(10)11)4-3-12-2-1-5(4)13-7/h1-3,9H2,(H,10,11)
InChIKey
SEHAXOCDNHYHOG-UHFFFAOYSA-N
Compound name
2-amino-6,7-dihydro-4H-thieno[3,2-c]pyran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.03032 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.03760 138.7
[M+Na]+ 222.01954 146.5
[M-H]- 198.02304 142.3
[M+NH4]+ 217.06414 158.9
[M+K]+ 237.99348 144.9
[M+H-H2O]+ 182.02758 134.2
[M+HCOO]- 244.02852 154.0
[M+CH3COO]- 258.04417 180.5
[M+Na-2H]- 220.00499 141.0
[M]+ 199.02977 138.2
[M]- 199.03087 138.2
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

No patent data available for this compound.