CID 11194392

2-oxocyclopentyl acetate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC(=O)OC1CCCC1=O

InChI

InChI=1S/C7H10O3/c1-5(8)10-7-4-2-3-6(7)9/h7H,2-4H2,1H3

InChIKey

RBEIPUMJEQUKIW-UHFFFAOYSA-N

Compound name

(2-oxocyclopentyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 142.06299 Da
Monoisotopic Mass: 0.4
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]+	143.070266	127.7
[M+Na]+	165.052208	135.0
[M-H]-	141.055714	131.3
[M+NH4]+	160.096813	151.0
[M+K]+	181.026148	135.0
[M+H-H2O]+	125.060250	123.0
[M+HCOO]-	187.061191	150.8
[M+CH3COO]-	201.076841	171.7
[M+Na-2H]-	163.037656	130.9
[M]+	142.06244142	127.3
[M]-	142.06353858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe