CID 98293

2622-83-5

Structural Information

Molecular Formula

C₁₈H₂₂O

SMILES

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

InChI

InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3

InChIKey

QJNBIFRUSFIANU-UHFFFAOYSA-N

Compound name

4-butan-2-yl-2-(1-phenylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 254.16707 Da
Monoisotopic Mass: 5.5
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]+	255.174346	161.4
[M+Na]+	277.156288	167.2
[M-H]-	253.159794	166.6
[M+NH4]+	272.200893	177.8
[M+K]+	293.130228	163.0
[M+H-H2O]+	237.164330	154.2
[M+HCOO]-	299.165271	181.2
[M+CH3COO]-	313.180921	197.5
[M+Na-2H]-	275.141736	163.0
[M]+	254.16652142	161.0
[M]-	254.16761858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe