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]+ 169.03178 130.7
[M+Na]+ 191.01372 139.7
[M-H]- 167.01722 136.2
[M+NH4]+ 186.05832 153.6
[M+K]+ 206.98766 138.7
[M+H-H2O]+ 151.02176 126.5
[M+HCOO]- 213.02270 148.3
[M+CH3COO]- 227.03835 145.2
[M+Na-2H]- 188.99917 135.4
[M]+ 168.02395 132.7
[M]- 168.02505 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.