CID 3058299

Dtxsid10874491

Structural Information

Molecular Formula

C₁₃H₂₀O

SMILES

CCC(C)C1=CC=CC(=C1O)C(C)C

InChI

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

InChIKey

NMTCMJXRNZCLIH-UHFFFAOYSA-N

Compound name

2-butan-2-yl-6-propan-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 192.15141 Da
Monoisotopic Mass: 3.8
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	145.1
[M+Na]+	215.14063	151.8
[M-H]-	191.14413	147.5
[M+NH4]+	210.18523	164.6
[M+K]+	231.11457	149.6
[M+H-H2O]+	175.14867	139.8
[M+HCOO]-	237.14961	165.1
[M+CH3COO]-	251.16526	186.8
[M+Na-2H]-	213.12608	146.9
[M]+	192.15086	145.6
[M]-	192.15196	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe