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

24
Patents

181.01974 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.027016 135.8
[M+Na]+ 204.008958 147.9
[M-H]- 180.012464 139.7
[M+NH4]+ 199.053563 159.8
[M+K]+ 219.982898 145.3
[M+H-H2O]+ 164.017000 131.7
[M+HCOO]- 226.017941 155.4
[M+CH3COO]- 240.033591 176.0
[M+Na-2H]- 201.994406 137.5
[M]+ 181.01919142 140.9
[M]- 181.02028858 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