CID 18961322

157661-93-3

Structural Information

Molecular Formula

C₂₇H₄₈O

SMILES

CCCCCCCCCCCCCCC(C)C1=C(C(=CC(=C1)C(C)(C)C)C)O

InChI

InChI=1S/C27H48O/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)25-21-24(27(4,5)6)20-23(3)26(25)28/h20-22,28H,7-19H2,1-6H3

InChIKey

LALMYSXJJWCRDR-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-hexadecan-2-yl-6-methylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 388.3705 Da
Monoisotopic Mass: 11.8
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]+	389.377776	208.2
[M+Na]+	411.359718	210.5
[M-H]-	387.363224	208.5
[M+NH4]+	406.404323	220.2
[M+K]+	427.333658	205.0
[M+H-H2O]+	371.367760	200.9
[M+HCOO]-	433.368701	222.8
[M+CH3COO]-	447.384351	228.7
[M+Na-2H]-	409.345166	203.8
[M]+	388.36995142	214.2
[M]-	388.37104858	214.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe