CID 84426

4-nonyl-o-cresol

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)C

InChI

InChI=1S/C16H26O/c1-3-4-5-6-7-8-9-10-15-11-12-16(17)14(2)13-15/h11-13,17H,3-10H2,1-2H3

InChIKey

LUQSSEXHMSLJQS-UHFFFAOYSA-N

Compound name

2-methyl-4-nonylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 137
Patents: 234.19836 Da
Monoisotopic Mass: 6.5
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	158.9
[M+Na]+	257.18758	164.8
[M-H]-	233.19108	160.5
[M+NH4]+	252.23218	176.8
[M+K]+	273.16152	160.8
[M+H-H2O]+	217.19562	152.7
[M+HCOO]-	279.19656	179.9
[M+CH3COO]-	293.21221	194.2
[M+Na-2H]-	255.17303	161.5
[M]+	234.19781	161.7
[M]-	234.19891	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe