CID 901435

5-methylthieno[3,2-b]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C8H6O2S2
SMILES
CC1=CC2=C(S1)C=C(S2)C(=O)O
InChI
InChI=1S/C8H6O2S2/c1-4-2-5-6(11-4)3-7(12-5)8(9)10/h2-3H,1H3,(H,9,10)
InChIKey
VOCYXBFIICKEKG-UHFFFAOYSA-N
Compound name
2-methylthieno[3,2-b]thiophene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

197.98093 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98821 139.5
[M+Na]+ 220.97015 151.9
[M-H]- 196.97365 144.5
[M+NH4]+ 216.01475 164.3
[M+K]+ 236.94409 148.3
[M+H-H2O]+ 180.97819 136.6
[M+HCOO]- 242.97913 154.7
[M+CH3COO]- 256.99478 154.3
[M+Na-2H]- 218.95560 139.5
[M]+ 197.98038 145.4
[M]- 197.98148 145.4
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