CID 3058295

2-sec-butyl-6-propylphenol

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CCCC1=C(C(=CC=C1)C(C)CC)O

InChI

InChI=1S/C13H20O/c1-4-7-11-8-6-9-12(13(11)14)10(3)5-2/h6,8-10,14H,4-5,7H2,1-3H3

InChIKey

DASIOEIBURQFMM-UHFFFAOYSA-N

Compound name

2-butan-2-yl-6-propylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 192.15141 Da
Monoisotopic Mass: 4.0
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]+	193.15869	145.2
[M+Na]+	215.14063	152.2
[M-H]-	191.14413	147.5
[M+NH4]+	210.18523	164.7
[M+K]+	231.11457	149.4
[M+H-H2O]+	175.14867	139.8
[M+HCOO]-	237.14961	166.2
[M+CH3COO]-	251.16526	185.9
[M+Na-2H]-	213.12608	148.2
[M]+	192.15086	146.3
[M]-	192.15196	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe