CID 106738

67634-10-0

Structural Information

Molecular Formula

C₁₂H₁₈O

SMILES

CC(C)C1=CC=C(C=C1)C(C)CO

InChI

InChI=1S/C12H18O/c1-9(2)11-4-6-12(7-5-11)10(3)8-13/h4-7,9-10,13H,8H2,1-3H3

InChIKey

DGWSPUSOJBEVIJ-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 178.13577 Da
Monoisotopic Mass: 3.0
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]+	179.143046	141.4
[M+Na]+	201.124988	147.6
[M-H]-	177.128494	143.6
[M+NH4]+	196.169593	161.1
[M+K]+	217.098928	145.6
[M+H-H2O]+	161.133030	136.0
[M+HCOO]-	223.133971	161.8
[M+CH3COO]-	237.149621	182.6
[M+Na-2H]-	199.110436	144.4
[M]+	178.13522142	141.1
[M]-	178.13631858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe