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]+ 210.02194 143.2
[M+Na]+ 232.00388 155.0
[M-H]- 208.00738 146.9
[M+NH4]+ 227.04848 165.9
[M+K]+ 247.97782 152.0
[M+H-H2O]+ 192.01192 138.8
[M+HCOO]- 254.01286 162.8
[M+CH3COO]- 268.02851 179.6
[M+Na-2H]- 229.98933 144.5
[M]+ 209.01411 149.2
[M]- 209.01521 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.