CID 3613501

3,4-dimethoxythiophene

Structural Information

Molecular Formula
C6H8O2S
SMILES
COC1=CSC=C1OC
InChI
InChI=1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey
ZUDCKLVMBAXBIF-UHFFFAOYSA-N
Compound name
3,4-dimethoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2106
Patents

144.0245 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 126.1
[M+Na]+ 167.01372 136.0
[M-H]- 143.01722 130.8
[M+NH4]+ 162.05832 150.4
[M+K]+ 182.98766 135.3
[M+H-H2O]+ 127.02176 121.4
[M+HCOO]- 189.02270 147.6
[M+CH3COO]- 203.03835 171.5
[M+Na-2H]- 164.99917 129.4
[M]+ 144.02395 131.2
[M]- 144.02505 131.2
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