CID 588315

3-methoxythiophene-2-carbaldehyde

Structural Information

Molecular Formula
C6H6O2S
SMILES
COC1=C(SC=C1)C=O
InChI
InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKey
KGJDTMQUUPIAEF-UHFFFAOYSA-N
Compound name
3-methoxythiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
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 127.3
[M+Na]+ 164.99807 138.7
[M+NH4]+ 160.04267 136.6
[M+K]+ 180.97201 132.6
[M-H]- 141.00157 128.9
[M+Na-2H]- 162.98352 132.5
[M]+ 142.00830 129.7
[M]- 142.00940 129.7
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