CID 131751824

6-hydroxy-8-tricosanone

Structural Information

Molecular Formula

C₂₃H₄₆O₂

SMILES

CCCCCCCCCCCCCCCC(=O)CC(CCCCC)O

InChI

InChI=1S/C23H46O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h22,24H,3-21H2,1-2H3

InChIKey

GGVGQHOCWYXITR-UHFFFAOYSA-N

Compound name

6-hydroxytricosan-8-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]+	355.35708	199.0
[M+Na]+	377.33902	205.0
[M+NH4]+	372.38362	203.5
[M+K]+	393.31296	196.9
[M-H]-	353.34252	196.7
[M+Na-2H]-	375.32447	197.3
[M]+	354.34925	198.8
[M]-	354.35035	198.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.