CID 292163

Ethyl 4h-thieno[3,2-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C9H9NO2S
SMILES
CCOC(=O)C1=CC2=C(N1)C=CS2
InChI
InChI=1S/C9H9NO2S/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChIKey
BLUDZFMRKHHPGZ-UHFFFAOYSA-N
Compound name
ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

128
Patents

195.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.042676 141.1
[M+Na]+ 218.024618 152.0
[M-H]- 194.028124 144.4
[M+NH4]+ 213.069223 164.3
[M+K]+ 233.998558 149.2
[M+H-H2O]+ 178.032660 136.4
[M+HCOO]- 240.033601 160.4
[M+CH3COO]- 254.049251 177.2
[M+Na-2H]- 216.010066 142.9
[M]+ 195.03485142 146.0
[M]- 195.03594858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe