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

6
Patents

142.00885 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 125.2
[M+Na]+ 164.99807 135.4
[M-H]- 141.00157 129.9
[M+NH4]+ 160.04267 149.5
[M+K]+ 180.97201 134.0
[M+H-H2O]+ 125.00611 120.6
[M+HCOO]- 187.00705 146.9
[M+CH3COO]- 201.02270 170.6
[M+Na-2H]- 162.98352 128.5
[M]+ 142.00830 129.6
[M]- 142.00940 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