CID 108311

55066-45-0

Structural Information

Molecular Formula

C₁₂H₁₆O

SMILES

CC(CCC1=CC=CC=C1)(C=C)O

InChI

InChI=1S/C12H16O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h3-8,13H,1,9-10H2,2H3

InChIKey

UWRYPWSHHZVMHR-UHFFFAOYSA-N

Compound name

3-methyl-5-phenylpent-1-en-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 176.12012 Da
Monoisotopic Mass: 2.7
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]+	177.12740	140.3
[M+Na]+	199.10934	146.8
[M-H]-	175.11284	142.3
[M+NH4]+	194.15394	159.9
[M+K]+	215.08328	143.6
[M+H-H2O]+	159.11738	135.1
[M+HCOO]-	221.11832	161.3
[M+CH3COO]-	235.13397	179.2
[M+Na-2H]-	197.09479	147.1
[M]+	176.11957	139.7
[M]-	176.12067	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe