CID 74409

Oxacyclododecan-2-one

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

C1CCCCCOC(=O)CCCC1

InChI

InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2

InChIKey

MVOSYKNQRRHGKX-UHFFFAOYSA-N

Compound name

oxacyclododecan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 5257
Patents: 184.14633 Da
Monoisotopic Mass: 3.6
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]+	185.15361	141.6
[M+Na]+	207.13555	151.3
[M+NH4]+	202.18015	149.3
[M+K]+	223.10949	145.1
[M-H]-	183.13905	145.3
[M+Na-2H]-	205.12100	146.5
[M]+	184.14578	143.5
[M]-	184.14688	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe