CID 2778771

3,4-dimethylthieno[2,3-b]thiophene-2-carbaldehyde

Structural Information

Molecular Formula
C9H8OS2
SMILES
CC1=CSC2=C1C(=C(S2)C=O)C
InChI
InChI=1S/C9H8OS2/c1-5-4-11-9-8(5)6(2)7(3-10)12-9/h3-4H,1-2H3
InChIKey
WEAXSPMHCXWYPF-UHFFFAOYSA-N
Compound name
3,4-dimethylthieno[2,3-b]thiophene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

196.00166 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.008936 138.8
[M+Na]+ 218.990878 152.6
[M-H]- 194.994384 145.4
[M+NH4]+ 214.035483 164.8
[M+K]+ 234.964818 148.7
[M+H-H2O]+ 178.998920 135.8
[M+HCOO]- 240.999861 155.9
[M+CH3COO]- 255.015511 154.5
[M+Na-2H]- 216.976326 138.8
[M]+ 196.00111142 146.3
[M]- 196.00220858 146.3
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