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

3
Annotation Hits: 2
References: 4940
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]+	185.153606	140.4
[M+Na]+	207.135548	143.0
[M-H]-	183.139054	141.1
[M+NH4]+	202.180153	155.6
[M+K]+	223.109488	144.2
[M+H-H2O]+	167.143590	137.8
[M+HCOO]-	229.144531	157.0
[M+CH3COO]-	243.160181	173.9
[M+Na-2H]-	205.120996	144.1
[M]+	184.14578142	131.2
[M]-	184.14687858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe