CID 10409

Cyclopentadecanone

Structural Information

Molecular Formula

C₁₅H₂₈O

SMILES

C1CCCCCCCC(=O)CCCCCC1

InChI

InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2

InChIKey

OSOIQJGOYGSIMF-UHFFFAOYSA-N

Compound name

cyclopentadecanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 5741
Patents: 224.21402 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]+	225.22130	155.3
[M+Na]+	247.20324	155.3
[M-H]-	223.20674	155.3
[M+NH4]+	242.24784	169.6
[M+K]+	263.17718	154.3
[M+H-H2O]+	207.21128	152.1
[M+HCOO]-	269.21222	169.8
[M+CH3COO]-	283.22787	180.9
[M+Na-2H]-	245.18869	155.2
[M]+	224.21347	141.7
[M]-	224.21457	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe