CID 22556504

3-methyl-4h-thieno[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C8H7NO2S
SMILES
CC1=CSC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C8H7NO2S/c1-4-3-12-6-2-5(8(10)11)9-7(4)6/h2-3,9H,1H3,(H,10,11)
InChIKey
CNIVWXIXRNMAHJ-UHFFFAOYSA-N
Compound name
3-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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 136.6
[M+Na]+ 204.00896 147.1
[M+NH4]+ 199.05356 144.9
[M+K]+ 219.98290 144.0
[M-H]- 180.01246 136.5
[M+Na-2H]- 201.99441 139.7
[M]+ 181.01919 138.3
[M]- 181.02029 138.3
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