CID 137928115

2248322-44-1

Structural Information

Molecular Formula
C9H9NO2S2
SMILES
COC(=O)C1=CC2=C(S1)C=C(S2)CN
InChI
InChI=1S/C9H9NO2S2/c1-12-9(11)8-3-7-6(14-8)2-5(4-10)13-7/h2-3H,4,10H2,1H3
InChIKey
COQGKZIMFNRLMC-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)thieno[3,2-b]thiophene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.00748 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.01476 147.4
[M+Na]+ 249.99670 156.6
[M+NH4]+ 245.04130 156.5
[M+K]+ 265.97064 151.1
[M-H]- 226.00020 149.3
[M+Na-2H]- 247.98215 150.2
[M]+ 227.00693 150.0
[M]- 227.00803 150.0
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.