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

26
Patents

144.0245 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 126.8
[M+Na]+ 167.01372 133.0
[M-H]- 143.01722 128.9
[M+NH4]+ 162.05832 147.8
[M+K]+ 182.98766 131.3
[M+H-H2O]+ 127.02176 121.9
[M+HCOO]- 189.02270 142.3
[M+CH3COO]- 203.03835 168.2
[M+Na-2H]- 164.99917 129.7
[M]+ 144.02395 124.7
[M]- 144.02505 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