CID 44154203

93893-70-0

Structural Information

Molecular Formula

C₂₆H₃₈O₂

SMILES

CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)CC(C)C)C)C(C)C)O)CC(C)C

InChI

InChI=1S/C26H38O2/c1-15(2)9-20-11-18(7)13-22(25(20)27)24(17(5)6)23-14-19(8)12-21(26(23)28)10-16(3)4/h11-17,24,27-28H,9-10H2,1-8H3

InChIKey

IZVALQGISZYFAI-UHFFFAOYSA-N

Compound name

2-[1-[2-hydroxy-5-methyl-3-(2-methylpropyl)phenyl]-2-methylpropyl]-4-methyl-6-(2-methylpropyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.28717 Da
Monoisotopic Mass: 8.2
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]+	383.294446	197.4
[M+Na]+	405.276388	202.2
[M-H]-	381.279894	201.3
[M+NH4]+	400.320993	208.7
[M+K]+	421.250328	197.7
[M+H-H2O]+	365.284430	190.1
[M+HCOO]-	427.285371	211.0
[M+CH3COO]-	441.301021	227.7
[M+Na-2H]-	403.261836	189.3
[M]+	382.28662142	199.9
[M]-	382.28771858	199.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.