CID 86564

4-(1-methylnonyl)phenol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

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

InChI

InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-14(2)15-10-12-16(17)13-11-15/h10-14,17H,3-9H2,1-2H3

InChIKey

CIIDOZQHEPMZIR-UHFFFAOYSA-N

Compound name

4-decan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 234.19836 Da
Monoisotopic Mass: 6.3
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]+	235.205636	160.0
[M+Na]+	257.187578	164.7
[M-H]-	233.191084	161.3
[M+NH4]+	252.232183	177.5
[M+K]+	273.161518	161.2
[M+H-H2O]+	217.195620	153.6
[M+HCOO]-	279.196561	180.0
[M+CH3COO]-	293.212211	193.8
[M+Na-2H]-	255.173026	162.0
[M]+	234.19781142	161.8
[M]-	234.19890858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe