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]+ 197.00894 138.8
[M+Na]+ 218.99088 152.6
[M-H]- 194.99438 145.4
[M+NH4]+ 214.03548 164.8
[M+K]+ 234.96482 148.7
[M+H-H2O]+ 178.99892 135.8
[M+HCOO]- 240.99986 155.9
[M+CH3COO]- 255.01551 154.5
[M+Na-2H]- 216.97633 138.8
[M]+ 196.00111 146.3
[M]- 196.00221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.