CID 13152937

74373-07-2

Structural Information

Molecular Formula
C6H8O2S
SMILES
COC(=O)C1C=CCS1
InChI
InChI=1S/C6H8O2S/c1-8-6(7)5-3-2-4-9-5/h2-3,5H,4H2,1H3
InChIKey
CGXSPVQDFYVYOP-UHFFFAOYSA-N
Compound name
methyl 2,5-dihydrothiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.0245 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.031776 128.7
[M+Na]+ 167.013718 136.7
[M-H]- 143.017224 132.8
[M+NH4]+ 162.058323 152.5
[M+K]+ 182.987658 136.1
[M+H-H2O]+ 127.021760 123.9
[M+HCOO]- 189.022701 147.9
[M+CH3COO]- 203.038351 170.0
[M+Na-2H]- 164.999166 130.5
[M]+ 144.02395142 130.6
[M]- 144.02504858 130.6
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

No patent data available for this compound.