CID 13162

8-pentadecanone

Structural Information

Molecular Formula

C₁₅H₃₀O

SMILES

CCCCCCCC(=O)CCCCCCC

InChI

InChI=1S/C15H30O/c1-3-5-7-9-11-13-15(16)14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

PQYGSSYFJIJDFK-UHFFFAOYSA-N

Compound name

pentadecan-8-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1405
Patents: 226.22966 Da
Monoisotopic Mass: 6.2
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]+	227.23694	160.5
[M+Na]+	249.21888	169.5
[M+NH4]+	244.26348	167.5
[M+K]+	265.19282	161.6
[M-H]-	225.22238	159.9
[M+Na-2H]-	247.20433	162.4
[M]+	226.22911	161.4
[M]-	226.23021	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe