CID 150928

3,5-di-tert-butyl-4-methoxytoluene

Structural Information

Molecular Formula

C₁₆H₂₆O

SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC)C(C)(C)C

InChI

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

InChIKey

TVWAVADIILZVIY-UHFFFAOYSA-N

Compound name

1,3-ditert-butyl-2-methoxy-5-methylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 77
Patents: 234.19836 Da
Monoisotopic Mass: 5.6
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	155.7
[M+Na]+	257.187578	164.1
[M-H]-	233.191084	160.1
[M+NH4]+	252.232183	175.1
[M+K]+	273.161518	162.2
[M+H-H2O]+	217.195620	151.0
[M+HCOO]-	279.196561	175.2
[M+CH3COO]-	293.212211	197.6
[M+Na-2H]-	255.173026	160.0
[M]+	234.19781142	159.8
[M]-	234.19890858	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe