CID 84014002

6-methyl-6h-thieno[2,3-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C8H7NO2S
SMILES
CN1C(=CC2=C1SC=C2)C(=O)O
InChI
InChI=1S/C8H7NO2S/c1-9-6(8(10)11)4-5-2-3-12-7(5)9/h2-4H,1H3,(H,10,11)
InChIKey
GKQQTOVFGYGERC-UHFFFAOYSA-N
Compound name
6-methylthieno[2,3-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

181.01974 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02702 135.8
[M+Na]+ 204.00896 147.9
[M-H]- 180.01246 139.7
[M+NH4]+ 199.05356 159.8
[M+K]+ 219.98290 145.3
[M+H-H2O]+ 164.01700 131.7
[M+HCOO]- 226.01794 155.4
[M+CH3COO]- 240.03359 176.0
[M+Na-2H]- 201.99441 137.5
[M]+ 181.01919 140.9
[M]- 181.02029 140.9
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