CID 82349

P-isopropylphenethyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

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

InChI

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

InChIKey

MUGORNQRYUKUGN-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 187
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]+	165.12740	136.7
[M+Na]+	187.10934	143.5
[M-H]-	163.11284	139.0
[M+NH4]+	182.15394	157.0
[M+K]+	203.08328	141.3
[M+H-H2O]+	147.11738	131.4
[M+HCOO]-	209.11832	158.3
[M+CH3COO]-	223.13397	178.7
[M+Na-2H]-	185.09479	141.5
[M]+	164.11957	136.6
[M]-	164.12067	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe