CID 13548084

Dtxsid80894823

Structural Information

Molecular Formula

C₁₈H₂₈O

SMILES

CC(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C18H28O/c1-12(2)9-13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h9-11,19H,1-8H3

InChIKey

HTZXFIALJSIFMB-UHFFFAOYSA-N

Compound name

2,6-ditert-butyl-4-(2-methylprop-1-enyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 260.21402 Da
Monoisotopic Mass: 6.5
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]+	261.22130	163.2
[M+Na]+	283.20324	170.4
[M-H]-	259.20674	165.9
[M+NH4]+	278.24784	180.8
[M+K]+	299.17718	167.1
[M+H-H2O]+	243.21128	158.7
[M+HCOO]-	305.21222	179.7
[M+CH3COO]-	319.22787	200.2
[M+Na-2H]-	281.18869	164.9
[M]+	260.21347	164.8
[M]-	260.21457	164.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe