CID 67296

Phenol, nonyl-

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h9-10,12-13,16H,2-8,11H2,1H3

InChIKey

SNQQPOLDUKLAAF-UHFFFAOYSA-N

Compound name

2-nonylphenol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1964
References: 51574
Patents: 220.18271 Da
Monoisotopic Mass: 6.2
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]+	221.189986	154.9
[M+Na]+	243.171928	160.3
[M-H]-	219.175434	156.3
[M+NH4]+	238.216533	173.0
[M+K]+	259.145868	156.5
[M+H-H2O]+	203.179970	148.6
[M+HCOO]-	265.180911	176.2
[M+CH3COO]-	279.196561	190.0
[M+Na-2H]-	241.157376	158.7
[M]+	220.18216142	156.9
[M]-	220.18325858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe