CID 13430680

2,5-dihydrothiophene-3-carboxylic acid

Structural Information

Molecular Formula
C5H6O2S
SMILES
C1C=C(CS1)C(=O)O
InChI
InChI=1S/C5H6O2S/c6-5(7)4-1-2-8-3-4/h1H,2-3H2,(H,6,7)
InChIKey
QCPFMZCGPRVIQQ-UHFFFAOYSA-N
Compound name
2,5-dihydrothiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

130.00885 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01613 124.5
[M+Na]+ 152.99807 132.4
[M-H]- 129.00157 127.2
[M+NH4]+ 148.04267 148.0
[M+K]+ 168.97201 131.0
[M+H-H2O]+ 113.00611 120.0
[M+HCOO]- 175.00705 142.4
[M+CH3COO]- 189.02270 164.9
[M+Na-2H]- 150.98352 126.3
[M]+ 130.00830 124.2
[M]- 130.00940 124.2
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