CID 1490788

338393-14-9

Structural Information

Molecular Formula
C11H13NO6S
SMILES
COC(=O)CC1=C(SC(=C1C(=O)OC)N)C(=O)OC
InChI
InChI=1S/C11H13NO6S/c1-16-6(13)4-5-7(10(14)17-2)9(12)19-8(5)11(15)18-3/h4,12H2,1-3H3
InChIKey
WUCNAODMAXHOTQ-UHFFFAOYSA-N
Compound name
dimethyl 5-amino-3-(2-methoxy-2-oxoethyl)thiophene-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.04636 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.053636 162.2
[M+Na]+ 310.035578 169.7
[M-H]- 286.039084 166.0
[M+NH4]+ 305.080183 179.7
[M+K]+ 326.009518 169.1
[M+H-H2O]+ 270.043620 156.3
[M+HCOO]- 332.044561 180.5
[M+CH3COO]- 346.060211 199.6
[M+Na-2H]- 308.021026 158.8
[M]+ 287.04581142 169.5
[M]- 287.04690858 169.5
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.