CID 110369

68480-22-8

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(C)C1=CC=CC(=C1)CCO

InChI

InChI=1S/C11H16O/c1-9(2)11-5-3-4-10(8-11)6-7-12/h3-5,8-9,12H,6-7H2,1-2H3

InChIKey

ZNRBQJLZGSDXDM-UHFFFAOYSA-N

Compound name

2-(3-propan-2-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 86
Patents: 164.12012 Da
Monoisotopic Mass: 2.6
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	136.7
[M+Na]+	187.109338	143.5
[M-H]-	163.112844	139.0
[M+NH4]+	182.153943	157.0
[M+K]+	203.083278	141.3
[M+H-H2O]+	147.117380	131.4
[M+HCOO]-	209.118321	158.3
[M+CH3COO]-	223.133971	178.7
[M+Na-2H]-	185.094786	141.5
[M]+	164.11957142	136.6
[M]-	164.12066858	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe