CID 560879

1504-55-8

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC(=CC1=CC=CC=C1)CO

InChI

InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7,11H,8H2,1H3

InChIKey

LLNAMUJRIZIXHF-UHFFFAOYSA-N

Compound name

2-methyl-3-phenylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 686
Patents: 148.08882 Da
Monoisotopic Mass: 2.3
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]+	149.096096	131.6
[M+Na]+	171.078038	138.3
[M-H]-	147.081544	133.7
[M+NH4]+	166.122643	152.2
[M+K]+	187.051978	135.6
[M+H-H2O]+	131.086080	126.3
[M+HCOO]-	193.087021	153.8
[M+CH3COO]-	207.102671	173.0
[M+Na-2H]-	169.063486	137.6
[M]+	148.08827142	130.0
[M]-	148.08936858	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe