CID 84019881

4,7-dihydro-5h-thieno[2,3-c]pyran-3-carbaldehyde

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1COCC2=C1C(=CS2)C=O
InChI
InChI=1S/C8H8O2S/c9-3-6-5-11-8-4-10-2-1-7(6)8/h3,5H,1-2,4H2
InChIKey
SXXOVAQLFXPFFC-UHFFFAOYSA-N
Compound name
5,7-dihydro-4H-thieno[2,3-c]pyran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 130.7
[M+Na]+ 191.013718 139.7
[M-H]- 167.017224 136.2
[M+NH4]+ 186.058323 153.6
[M+K]+ 206.987658 138.7
[M+H-H2O]+ 151.021760 126.5
[M+HCOO]- 213.022701 148.3
[M+CH3COO]- 227.038351 145.2
[M+Na-2H]- 188.999166 135.4
[M]+ 168.02395142 132.7
[M]- 168.02504858 132.7
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

No patent data available for this compound.