CID 113116

Di-t-amylphenol dimer

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CCC(C)(C)C1=CC(=CC(=C1)O)C(C)(C)CC

InChI

InChI=1S/C16H26O/c1-7-15(3,4)12-9-13(11-14(17)10-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3

InChIKey

YNLSUGSZSCLCRF-UHFFFAOYSA-N

Compound name

3,5-bis(2-methylbutan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 234.19836 Da
Monoisotopic Mass: 6.0
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]+	235.205636	157.5
[M+Na]+	257.187578	164.3
[M-H]-	233.191084	159.9
[M+NH4]+	252.232183	175.7
[M+K]+	273.161518	161.4
[M+H-H2O]+	217.195620	152.7
[M+HCOO]-	279.196561	175.4
[M+CH3COO]-	293.212211	195.1
[M+Na-2H]-	255.173026	161.8
[M]+	234.19781142	159.4
[M]-	234.19890858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe