CID 4058811

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

Structural Information

Molecular Formula
C8H7NO2S
SMILES
COC(=O)C1=CC2=C(N1)C=CS2
InChI
InChI=1S/C8H7NO2S/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3
InChIKey
SBBZXGMGOKVVOB-UHFFFAOYSA-N
Compound name
methyl 4H-thieno[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

181.01974 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02702 136.5
[M+Na]+ 204.00896 147.3
[M+NH4]+ 199.05356 145.2
[M+K]+ 219.98290 143.6
[M-H]- 180.01246 136.9
[M+Na-2H]- 201.99441 140.4
[M]+ 181.01919 138.4
[M]- 181.02029 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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