CID 46154

M-cresol, 6-decyl-

Structural Information

Molecular Formula

C₁₇H₂₈O

SMILES

CCCCCCCCCCC1=C(C=C(C=C1)C)O

InChI

InChI=1S/C17H28O/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-17(16)18/h12-14,18H,3-11H2,1-2H3

InChIKey

GAIKPEXWXLEOPD-UHFFFAOYSA-N

Compound name

2-decyl-5-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 248.21402 Da
Monoisotopic Mass: 7.1
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]+	249.22130	163.5
[M+Na]+	271.20324	169.0
[M-H]-	247.20674	164.9
[M+NH4]+	266.24784	180.8
[M+K]+	287.17718	164.7
[M+H-H2O]+	231.21128	157.1
[M+HCOO]-	293.21222	184.1
[M+CH3COO]-	307.22787	197.2
[M+Na-2H]-	269.18869	165.5
[M]+	248.21347	166.7
[M]-	248.21457	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe