CID 7164601

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

Structural Information

Molecular Formula
C8H7NO2S
SMILES
COC(=O)C1=CC2=C(N1)SC=C2
InChI
InChI=1S/C8H7NO2S/c1-11-8(10)6-4-5-2-3-12-7(5)9-6/h2-4,9H,1H3
InChIKey
YBIAQTPXONLBJG-UHFFFAOYSA-N
Compound name
methyl 6H-thieno[2,3-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

181.01974 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02702 136.5
[M+Na]+ 204.00896 147.9
[M-H]- 180.01246 140.1
[M+NH4]+ 199.05356 160.3
[M+K]+ 219.98290 145.3
[M+H-H2O]+ 164.01700 132.1
[M+HCOO]- 226.01794 156.2
[M+CH3COO]- 240.03359 174.3
[M+Na-2H]- 201.99441 138.8
[M]+ 181.01919 141.1
[M]- 181.02029 141.1
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

patents stripe