CID 12646486

2-methoxythiophene-3-carbaldehyde

Structural Information

Molecular Formula
C6H6O2S
SMILES
COC1=C(C=CS1)C=O
InChI
InChI=1S/C6H6O2S/c1-8-6-5(4-7)2-3-9-6/h2-4H,1H3
InChIKey
UIUKIKLGNRUZJK-UHFFFAOYSA-N
Compound name
2-methoxythiophene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

142.00885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.016126 125.2
[M+Na]+ 164.998068 135.4
[M-H]- 141.001574 129.9
[M+NH4]+ 160.042673 149.5
[M+K]+ 180.972008 134.0
[M+H-H2O]+ 125.006110 120.6
[M+HCOO]- 187.007051 146.9
[M+CH3COO]- 201.022701 170.6
[M+Na-2H]- 162.983516 128.5
[M]+ 142.00830142 129.6
[M]- 142.00939858 129.6
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