CID 86003

6-cyclopentyltetrahydro-2h-pyran-2-one

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CCC(C1)C2CCCC(=O)O2

InChI

InChI=1S/C10H16O2/c11-10-7-3-6-9(12-10)8-4-1-2-5-8/h8-9H,1-7H2

InChIKey

FBDVAVKHDCUJEK-UHFFFAOYSA-N

Compound name

6-cyclopentyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 2.4
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]+	169.122316	137.0
[M+Na]+	191.104258	141.3
[M-H]-	167.107764	143.2
[M+NH4]+	186.148863	157.5
[M+K]+	207.078198	141.0
[M+H-H2O]+	151.112300	131.3
[M+HCOO]-	213.113241	156.0
[M+CH3COO]-	227.128891	176.0
[M+Na-2H]-	189.089706	140.0
[M]+	168.11449142	131.4
[M]-	168.11558858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.