CID 13134867

2-(thiophen-3-yl)propanoic acid

Structural Information

Molecular Formula
C7H8O2S
SMILES
CC(C1=CSC=C1)C(=O)O
InChI
InChI=1S/C7H8O2S/c1-5(7(8)9)6-2-3-10-4-6/h2-5H,1H3,(H,8,9)
InChIKey
MDHJHWOTXDVWRS-UHFFFAOYSA-N
Compound name
2-thiophen-3-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

156.0245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.03178 132.3
[M+Na]+ 179.01372 141.8
[M+NH4]+ 174.05832 140.7
[M+K]+ 194.98766 137.2
[M-H]- 155.01722 132.8
[M+Na-2H]- 176.99917 136.2
[M]+ 156.02395 134.0
[M]- 156.02505 134.0
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