CID 13152947

4,5-dihydrothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H6O2S
SMILES
C1CSC(=C1)C(=O)O
InChI
InChI=1S/C5H6O2S/c6-5(7)4-2-1-3-8-4/h2H,1,3H2,(H,6,7)
InChIKey
WPEQQGAEXCVOJF-UHFFFAOYSA-N
Compound name
2,3-dihydrothiophene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

130.00885 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01613 124.9
[M+Na]+ 152.99807 134.3
[M+NH4]+ 148.04267 133.8
[M+K]+ 168.97201 129.5
[M-H]- 129.00157 125.5
[M+Na-2H]- 150.98352 128.7
[M]+ 130.00830 126.6
[M]- 130.00940 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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