CID 12110979

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

Structural Information

Molecular Formula
C8H7NO2S
SMILES
COC(=O)C1=CC2=C(S1)C=CN2
InChI
InChI=1S/C8H7NO2S/c1-11-8(10)7-4-5-6(12-7)2-3-9-5/h2-4,9H,1H3
InChIKey
OSZRKQNJIOWIFE-UHFFFAOYSA-N
Compound name
methyl 4H-thieno[3,2-b]pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 147.9
[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

literature stripe

Patent stripe

patents stripe