CID 15937389

5-methoxythiophene-2-carbaldehyde

Structural Information

Molecular Formula
C6H6O2S
SMILES
COC1=CC=C(S1)C=O
InChI
InChI=1S/C6H6O2S/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKey
NVDZOPRKCPVWOS-UHFFFAOYSA-N
Compound name
5-methoxythiophene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

142.00885 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe