CID 61204

710-04-3

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CCCCCCC1CCCC(=O)O1

InChI

InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3

InChIKey

YZRXRLLRSPQHDK-UHFFFAOYSA-N

Compound name

6-hexyloxan-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 4701
Patents: 184.14633 Da
Monoisotopic Mass: 3.1
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	143.3
[M+Na]+	207.13555	148.0
[M-H]-	183.13905	146.4
[M+NH4]+	202.18015	161.9
[M+K]+	223.10949	147.7
[M+H-H2O]+	167.14359	137.4
[M+HCOO]-	229.14453	162.6
[M+CH3COO]-	243.16018	182.7
[M+Na-2H]-	205.12100	147.8
[M]+	184.14578	142.8
[M]-	184.14688	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe