CID 11742

4-cumylphenol

Structural Information

Molecular Formula

C₁₅H₁₆O

SMILES

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

InChI

InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3

InChIKey

QBDSZLJBMIMQRS-UHFFFAOYSA-N

Compound name

4-(2-phenylpropan-2-yl)phenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 56
References: 27629
Patents: 212.12012 Da
Monoisotopic Mass: 3.7
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]+	213.12740	147.7
[M+Na]+	235.10934	155.0
[M-H]-	211.11284	153.3
[M+NH4]+	230.15394	165.8
[M+K]+	251.08328	150.9
[M+H-H2O]+	195.11738	141.4
[M+HCOO]-	257.11832	169.0
[M+CH3COO]-	271.13397	186.0
[M+Na-2H]-	233.09479	154.9
[M]+	212.11957	146.7
[M]-	212.12067	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe