CID 10441

10-nonadecanone

Structural Information

Molecular Formula

C₁₉H₃₈O

SMILES

CCCCCCCCCC(=O)CCCCCCCCC

InChI

InChI=1S/C19H38O/c1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3

InChIKey

YUPOCHDBBHTUBJ-UHFFFAOYSA-N

Compound name

nonadecan-10-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1064
Patents: 282.29227 Da
Monoisotopic Mass: 8.1
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]+	283.29955	178.1
[M+Na]+	305.28149	186.3
[M+NH4]+	300.32609	184.4
[M+K]+	321.25543	177.5
[M-H]-	281.28499	177.3
[M+Na-2H]-	303.26694	179.0
[M]+	282.29172	178.8
[M]-	282.29282	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe