CID 68344736

4,6-dimethylthieno[3,4-b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C9H8O2S2
SMILES
CC1=C2C=C(SC2=C(S1)C)C(=O)O
InChI
InChI=1S/C9H8O2S2/c1-4-6-3-7(9(10)11)13-8(6)5(2)12-4/h3H,1-2H3,(H,10,11)
InChIKey
LHHDPBDSCYVCTP-UHFFFAOYSA-N
Compound name
4,6-dimethylthieno[2,3-c]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

211.99657 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.003846 143.2
[M+Na]+ 234.985788 155.8
[M-H]- 210.989294 148.3
[M+NH4]+ 230.030393 167.6
[M+K]+ 250.959728 151.9
[M+H-H2O]+ 194.993830 140.4
[M+HCOO]- 256.994771 157.9
[M+CH3COO]- 271.010421 182.5
[M+Na-2H]- 232.971236 142.2
[M]+ 211.99602142 149.7
[M]- 211.99711858 149.7
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