CID 11041143

4-(thiophen-3-yl)butanoic acid

Structural Information

Molecular Formula

C₈H₁₀O₂S

SMILES

C1=CSC=C1CCCC(=O)O

InChI

InChI=1S/C8H10O2S/c9-8(10)3-1-2-7-4-5-11-6-7/h4-6H,1-3H2,(H,9,10)

InChIKey

QICKSFILIHOSPO-UHFFFAOYSA-N

Compound name

4-thiophen-3-ylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 170.04015 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.047426	136.3
[M+Na]+	193.029368	143.9
[M-H]-	169.032874	138.8
[M+NH4]+	188.073973	158.3
[M+K]+	209.003308	141.5
[M+H-H2O]+	153.037410	131.2
[M+HCOO]-	215.038351	154.7
[M+CH3COO]-	229.054001	173.6
[M+Na-2H]-	191.014816	137.5
[M]+	170.03960142	138.5
[M]-	170.04069858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe