CID 152778647

14189-41-4

Structural Information

Molecular Formula
C6H8O2S
SMILES
COC(=O)C1=CSCC1
InChI
InChI=1S/C6H8O2S/c1-8-6(7)5-2-3-9-4-5/h4H,2-3H2,1H3
InChIKey
ZENAHRFMHLIZCE-UHFFFAOYSA-N
Compound name
methyl 2,3-dihydrothiophene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.0245 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.03178 129.3
[M+Na]+ 167.01372 139.0
[M+NH4]+ 162.05832 138.4
[M+K]+ 182.98766 133.7
[M-H]- 143.01722 130.4
[M+Na-2H]- 164.99917 133.4
[M]+ 144.02395 131.2
[M]- 144.02505 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe