CID 2060232

8-methyl-8h-thieno[2,3-b]indole-2-carboxylic acid

Structural Information

Molecular Formula
C12H9NO2S
SMILES
CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)O
InChI
InChI=1S/C12H9NO2S/c1-13-9-5-3-2-4-7(9)8-6-10(12(14)15)16-11(8)13/h2-6H,1H3,(H,14,15)
InChIKey
JHFVKRLBHYSSBD-UHFFFAOYSA-N
Compound name
4-methylthieno[2,3-b]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

231.0354 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.04268 147.8
[M+Na]+ 254.02462 161.4
[M+NH4]+ 249.06922 157.2
[M+K]+ 269.99856 156.5
[M-H]- 230.02812 149.6
[M+Na-2H]- 252.01007 152.7
[M]+ 231.03485 150.7
[M]- 231.03595 150.7
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