CID 28521

P-(1-methyloctyl)phenol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCCCCC(C)C1=CC=C(C=C1)O

InChI

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

InChIKey

VFONHVBSRNKIAY-UHFFFAOYSA-N

Compound name

4-nonan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 23
Patents: 220.18271 Da
Monoisotopic Mass: 5.8
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]+	221.18999	155.4
[M+Na]+	243.17193	160.5
[M-H]-	219.17543	156.9
[M+NH4]+	238.21653	173.4
[M+K]+	259.14587	157.2
[M+H-H2O]+	203.17997	149.2
[M+HCOO]-	265.18091	175.7
[M+CH3COO]-	279.19656	190.8
[M+Na-2H]-	241.15738	157.9
[M]+	220.18216	156.8
[M]-	220.18326	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe