CID 75712

Oxacycloundecane-2,11-dione

Structural Information

Molecular Formula

C₁₀H₁₆O₃

SMILES

C1CCCCC(=O)OC(=O)CCC1

InChI

InChI=1S/C10H16O3/c11-9-7-5-3-1-2-4-6-8-10(12)13-9/h1-8H2

InChIKey

YOURXVGYNVXQKT-UHFFFAOYSA-N

Compound name

oxacycloundecane-2,11-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3033
Patents: 184.10994 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]+	185.11722	137.0
[M+Na]+	207.09916	141.6
[M-H]-	183.10266	138.1
[M+NH4]+	202.14376	152.6
[M+K]+	223.07310	142.7
[M+H-H2O]+	167.10720	134.7
[M+HCOO]-	229.10814	154.9
[M+CH3COO]-	243.12379	174.2
[M+Na-2H]-	205.08461	140.9
[M]+	184.10939	129.9
[M]-	184.11049	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe