CID 131751830

6-hydroxy-4-tricosanone

Structural Information

Molecular Formula

C₂₃H₄₆O₂

SMILES

CCCCCCCCCCCCCCCCCC(CC(=O)CCC)O

InChI

InChI=1S/C23H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h23,25H,3-21H2,1-2H3

InChIKey

QWHZKWJRMLWHDH-UHFFFAOYSA-N

Compound name

6-hydroxytricosan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.3498 Da
Monoisotopic Mass: 8.9
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]+	355.357076	202.4
[M+Na]+	377.339018	201.9
[M-H]-	353.342524	198.1
[M+NH4]+	372.383623	214.7
[M+K]+	393.312958	197.6
[M+H-H2O]+	337.347060	195.0
[M+HCOO]-	399.348001	217.7
[M+CH3COO]-	413.363651	220.0
[M+Na-2H]-	375.324466	197.3
[M]+	354.34925142	209.1
[M]-	354.35034858	209.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.