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: 2833
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	138.8
[M+Na]+	207.09916	148.7
[M+NH4]+	202.14376	145.8
[M+K]+	223.07310	143.4
[M-H]-	183.10266	141.6
[M+Na-2H]-	205.08461	143.0
[M]+	184.10939	140.5
[M]-	184.11049	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe