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

68
Patents

181.01974 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.027016 136.5
[M+Na]+ 204.008958 147.9
[M-H]- 180.012464 140.1
[M+NH4]+ 199.053563 160.3
[M+K]+ 219.982898 145.3
[M+H-H2O]+ 164.017000 132.1
[M+HCOO]- 226.017941 156.2
[M+CH3COO]- 240.033591 174.3
[M+Na-2H]- 201.994406 138.8
[M]+ 181.01919142 141.1
[M]- 181.02028858 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