CID 10219686

Cyclopentyl(thiophen-2-yl)methanone

Structural Information

Molecular Formula

C₁₀H₁₂OS

SMILES

C1CCC(C1)C(=O)C2=CC=CS2

InChI

InChI=1S/C10H12OS/c11-10(8-4-1-2-5-8)9-6-3-7-12-9/h3,6-8H,1-2,4-5H2

InChIKey

ZLEDQHMUUGXXTD-UHFFFAOYSA-N

Compound name

cyclopentyl(thiophen-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 180.06088 Da
Monoisotopic Mass: 2.8
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]+	181.068156	142.0
[M+Na]+	203.050098	149.0
[M-H]-	179.053604	149.0
[M+NH4]+	198.094703	165.9
[M+K]+	219.024038	147.1
[M+H-H2O]+	163.058140	136.8
[M+HCOO]-	225.059081	160.8
[M+CH3COO]-	239.074731	177.0
[M+Na-2H]-	201.035546	140.7
[M]+	180.06033142	141.3
[M]-	180.06142858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe