CID 14601398

127025-34-7

Structural Information

Molecular Formula
C7H6OS2
SMILES
C1=CSC2=C1SC(=C2)CO
InChI
InChI=1S/C7H6OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3,8H,4H2
InChIKey
TXYAZXBBBKENKC-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophen-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

169.98601 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.99329 131.3
[M+Na]+ 192.97523 143.9
[M-H]- 168.97873 136.2
[M+NH4]+ 188.01983 157.3
[M+K]+ 208.94917 140.2
[M+H-H2O]+ 152.98327 128.4
[M+HCOO]- 214.98421 147.7
[M+CH3COO]- 228.99986 146.6
[M+Na-2H]- 190.96068 133.2
[M]+ 169.98546 136.4
[M]- 169.98656 136.4
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