CID 21315496

Tetra-sec-butylphenol

Structural Information

Molecular Formula

C₂₂H₃₈O

SMILES

CCC(C)C1=CC(=C(C(=C1C(C)CC)C(C)CC)C(C)CC)O

InChI

InChI=1S/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3

InChIKey

CBHPYQFMMHSJAU-UHFFFAOYSA-N

Compound name

2,3,4,5-tetra(butan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 318.29227 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]+	319.299546	183.7
[M+Na]+	341.281488	187.9
[M-H]-	317.284994	185.3
[M+NH4]+	336.326093	198.5
[M+K]+	357.255428	184.7
[M+H-H2O]+	301.289530	177.5
[M+HCOO]-	363.290471	198.6
[M+CH3COO]-	377.306121	218.0
[M+Na-2H]-	339.266936	176.9
[M]+	318.29172142	187.0
[M]-	318.29281858	187.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe