CID 67834794

2305627-38-5

Structural Information

Molecular Formula
C6H8O3S
SMILES
COC(=O)C1=C(CSC1)O
InChI
InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h7H,2-3H2,1H3
InChIKey
FEFHFUKDYUAIJM-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2,5-dihydrothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

160.01941 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02669 131.6
[M+Na]+ 183.00863 139.8
[M-H]- 159.01213 134.4
[M+NH4]+ 178.05323 154.1
[M+K]+ 198.98257 138.6
[M+H-H2O]+ 143.01667 127.1
[M+HCOO]- 205.01761 149.4
[M+CH3COO]- 219.03326 170.4
[M+Na-2H]- 180.99408 132.4
[M]+ 160.01886 133.4
[M]- 160.01996 133.4
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