CID 11439236

32113-46-5

Structural Information

Molecular Formula

C₂₃H₃₂O₂

SMILES

CCC(C)C1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C(C)CC)O

InChI

InChI=1S/C23H32O2/c1-7-15(3)19-13-17(9-11-21(19)24)23(5,6)18-10-12-22(25)20(14-18)16(4)8-2/h9-16,24-25H,7-8H2,1-6H3

InChIKey

XCUMMFDPFFDQEX-UHFFFAOYSA-N

Compound name

2-butan-2-yl-4-[2-(3-butan-2-yl-4-hydroxyphenyl)propan-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3844
Patents: 340.24023 Da
Monoisotopic Mass: 7.3
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]+	341.247506	185.6
[M+Na]+	363.229448	190.9
[M-H]-	339.232954	189.5
[M+NH4]+	358.274053	198.4
[M+K]+	379.203388	186.3
[M+H-H2O]+	323.237490	178.7
[M+HCOO]-	385.238431	200.7
[M+CH3COO]-	399.254081	214.9
[M+Na-2H]-	361.214896	183.7
[M]+	340.23968142	187.0
[M]-	340.24077858	187.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe