CID 119053492

Methyl 6-formyl-4h-thieno[3,2-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C9H7NO3S
SMILES
COC(=O)C1=C(C2=C(N1)C=CS2)C=O
InChI
InChI=1S/C9H7NO3S/c1-13-9(12)7-5(4-11)8-6(10-7)2-3-14-8/h2-4,10H,1H3
InChIKey
CGQKIGMURANUIG-UHFFFAOYSA-N
Compound name
methyl 6-formyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.01466 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.021936 143.2
[M+Na]+ 232.003878 155.0
[M-H]- 208.007384 146.9
[M+NH4]+ 227.048483 165.9
[M+K]+ 247.977818 152.0
[M+H-H2O]+ 192.011920 138.8
[M+HCOO]- 254.012861 162.8
[M+CH3COO]- 268.028511 179.6
[M+Na-2H]- 229.989326 144.5
[M]+ 209.01411142 149.2
[M]- 209.01520858 149.2
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.