CID 10240930

5,6-dihydro-2h-thiopyran-3-carboxylic acid

Structural Information

Molecular Formula
C6H8O2S
SMILES
C1CSCC(=C1)C(=O)O
InChI
InChI=1S/C6H8O2S/c7-6(8)5-2-1-3-9-4-5/h2H,1,3-4H2,(H,7,8)
InChIKey
FCNJYUNCJRAREJ-UHFFFAOYSA-N
Compound name
3,6-dihydro-2H-thiopyran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

144.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.031776 126.8
[M+Na]+ 167.013718 133.0
[M-H]- 143.017224 128.9
[M+NH4]+ 162.058323 147.8
[M+K]+ 182.987658 131.3
[M+H-H2O]+ 127.021760 121.9
[M+HCOO]- 189.022701 142.3
[M+CH3COO]- 203.038351 168.2
[M+Na-2H]- 164.999166 129.7
[M]+ 144.02395142 124.7
[M]- 144.02504858 124.7
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

patents stripe