CID 167093

4'-hydroxynonanophenone

Structural Information

Molecular Formula

C₁₅H₂₂O₂

SMILES

CCCCCCCCC(=O)C1=CC=C(C=C1)O

InChI

InChI=1S/C15H22O2/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12,16H,2-8H2,1H3

InChIKey

JZBXYOOARNRUME-UHFFFAOYSA-N

Compound name

1-(4-hydroxyphenyl)nonan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 87
Patents: 234.16199 Da
Monoisotopic Mass: 4.8
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]+	235.169266	157.2
[M+Na]+	257.151208	162.6
[M-H]-	233.154714	158.7
[M+NH4]+	252.195813	174.5
[M+K]+	273.125148	159.2
[M+H-H2O]+	217.159250	150.9
[M+HCOO]-	279.160191	178.0
[M+CH3COO]-	293.175841	191.9
[M+Na-2H]-	255.136656	159.8
[M]+	234.16144142	159.4
[M]-	234.16253858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe