CID 23294887

202737-33-5

Structural Information

Molecular Formula

C₉H₁₀O₂S

SMILES

C1CC(C1)(C2=CC=CS2)C(=O)O

InChI

InChI=1S/C9H10O2S/c10-8(11)9(4-2-5-9)7-3-1-6-12-7/h1,3,6H,2,4-5H2,(H,10,11)

InChIKey

ZSEXSJBRGWJIBW-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 182.04015 Da
Monoisotopic Mass: 2.0
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]+	183.047426	134.7
[M+Na]+	205.029368	140.2
[M-H]-	181.032874	140.2
[M+NH4]+	200.073973	151.1
[M+K]+	221.003308	140.8
[M+H-H2O]+	165.037410	125.1
[M+HCOO]-	227.038351	151.0
[M+CH3COO]-	241.054001	177.9
[M+Na-2H]-	203.014816	136.6
[M]+	182.03960142	143.3
[M]-	182.04069858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe