CID 235414

Oxacyclohexadecan-2-one

Structural Information

Molecular Formula

C₁₅H₂₈O₂

SMILES

C1CCCCCCCOC(=O)CCCCCC1

InChI

InChI=1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2

InChIKey

FKUPPRZPSYCDRS-UHFFFAOYSA-N

Compound name

oxacyclohexadecan-2-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 23
References: 15380
Patents: 240.20892 Da
Monoisotopic Mass: 5.8
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]+	241.216196	157.6
[M+Na]+	263.198138	157.5
[M-H]-	239.201644	158.5
[M+NH4]+	258.242743	169.9
[M+K]+	279.172078	158.0
[M+H-H2O]+	223.206180	154.5
[M+HCOO]-	285.207121	171.0
[M+CH3COO]-	299.222771	181.9
[M+Na-2H]-	261.183586	158.4
[M]+	240.20837142	144.9
[M]-	240.20946858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe