CID 79959

2,4,6-triisobutylphenol

Structural Information

Molecular Formula

C₁₈H₃₀O

SMILES

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

InChI

InChI=1S/C18H30O/c1-12(2)7-15-10-16(8-13(3)4)18(19)17(11-15)9-14(5)6/h10-14,19H,7-9H2,1-6H3

InChIKey

YEBYLKSGBARIJJ-UHFFFAOYSA-N

Compound name

2,4,6-tris(2-methylpropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 234
Patents: 262.22968 Da
Monoisotopic Mass: 6.3
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]+	263.23696	167.8
[M+Na]+	285.21890	179.1
[M+NH4]+	280.26350	175.3
[M+K]+	301.19284	172.7
[M-H]-	261.22240	169.5
[M+Na-2H]-	283.20435	171.5
[M]+	262.22913	169.9
[M]-	262.23023	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe