CID 131751842

1-benzoyl-2-pentadecanol

Structural Information

Molecular Formula

C₂₂H₃₆O₂

SMILES

CCCCCCCCCCCCCC(CC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,21,23H,2-11,15,18-19H2,1H3

InChIKey

BHJLLBCJOQXMIH-UHFFFAOYSA-N

Compound name

3-hydroxy-1-phenylhexadecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.27155 Da
Monoisotopic Mass: 7.6
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]+	333.278826	190.4
[M+Na]+	355.260768	191.4
[M-H]-	331.264274	190.1
[M+NH4]+	350.305373	203.1
[M+K]+	371.234708	186.7
[M+H-H2O]+	315.268810	182.3
[M+HCOO]-	377.269751	207.6
[M+CH3COO]-	391.285401	212.5
[M+Na-2H]-	353.246216	188.4
[M]+	332.27100142	194.0
[M]-	332.27209858	194.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.