CID 88710

20834-59-7

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC1=CC=C(C=C1)CC(C)(C)O

InChI

InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3

InChIKey

LABNAHQUILHURR-UHFFFAOYSA-N

Compound name

2-methyl-1-(4-methylphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 347
Patents: 164.12012 Da
Monoisotopic Mass: 2.5
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]+	165.127396	136.2
[M+Na]+	187.109338	143.8
[M-H]-	163.112844	138.8
[M+NH4]+	182.153943	156.7
[M+K]+	203.083278	141.5
[M+H-H2O]+	147.117380	131.5
[M+HCOO]-	209.118321	157.3
[M+CH3COO]-	223.133971	178.2
[M+Na-2H]-	185.094786	142.9
[M]+	164.11957142	136.4
[M]-	164.12066858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe