CID 155821989

2490432-89-6

Structural Information

Molecular Formula
C9H11NO3S
SMILES
COC(=O)C1=C(C2=C(S1)CCOC2)N
InChI
InChI=1S/C9H11NO3S/c1-12-9(11)8-7(10)5-4-13-3-2-6(5)14-8/h2-4,10H2,1H3
InChIKey
JYBMGXUDRRZYCM-UHFFFAOYSA-N
Compound name
methyl 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04596 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05324 143.3
[M+Na]+ 236.03518 151.3
[M-H]- 212.03868 148.3
[M+NH4]+ 231.07978 163.8
[M+K]+ 252.00912 150.3
[M+H-H2O]+ 196.04322 138.5
[M+HCOO]- 258.04416 159.9
[M+CH3COO]- 272.05981 185.2
[M+Na-2H]- 234.02063 145.5
[M]+ 213.04541 145.0
[M]- 213.04651 145.0
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.