CID 120111

Phenol, 2-isononyl-4-methyl-

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1=CC(=C(C=C1)O)CCCCCCC(C)C

InChI

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

InChIKey

ODLQBYYWVWMCQA-UHFFFAOYSA-N

Compound name

4-methyl-2-(7-methyloctyl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 234.19836 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]+	235.20564	159.2
[M+Na]+	257.18758	164.9
[M-H]-	233.19108	161.0
[M+NH4]+	252.23218	177.0
[M+K]+	273.16152	161.4
[M+H-H2O]+	217.19562	153.1
[M+HCOO]-	279.19656	179.2
[M+CH3COO]-	293.21221	195.0
[M+Na-2H]-	255.17303	160.6
[M]+	234.19781	161.4
[M]-	234.19891	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe