CID 12375218

5,6-dihydro-2h-thiopyran-3-carbaldehyde

Structural Information

Molecular Formula
C6H8OS
SMILES
C1CSCC(=C1)C=O
InChI
InChI=1S/C6H8OS/c7-4-6-2-1-3-8-5-6/h2,4H,1,3,5H2
InChIKey
QCOHPZFHFSPQNW-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-thiopyran-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

128.02959 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 123.6
[M+Na]+ 151.01881 135.3
[M+NH4]+ 146.06341 133.7
[M+K]+ 166.99275 126.7
[M-H]- 127.02231 126.3
[M+Na-2H]- 149.00426 129.8
[M]+ 128.02904 126.4
[M]- 128.03014 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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