CID 99743

2-(1-methylnonyl)phenol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCCCCCCCC(C)C1=CC=CC=C1O

InChI

InChI=1S/C16H26O/c1-3-4-5-6-7-8-11-14(2)15-12-9-10-13-16(15)17/h9-10,12-14,17H,3-8,11H2,1-2H3

InChIKey

YYUUSAFRJJBDDU-UHFFFAOYSA-N

Compound name

2-decan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 113
Patents: 234.19836 Da
Monoisotopic Mass: 6.7
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]+	235.20564	160.0
[M+Na]+	257.18758	164.7
[M-H]-	233.19108	161.3
[M+NH4]+	252.23218	177.5
[M+K]+	273.16152	161.2
[M+H-H2O]+	217.19562	153.6
[M+HCOO]-	279.19656	180.0
[M+CH3COO]-	293.21221	193.8
[M+Na-2H]-	255.17303	162.0
[M]+	234.19781	161.8
[M]-	234.19891	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe