CID 19349320

106965-54-2

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

C=CCC1=CC(=CC=C1)CO

InChI

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

InChIKey

AAOGHCPCYSTUSP-UHFFFAOYSA-N

Compound name

(3-prop-2-enylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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]+	149.09610	130.2
[M+Na]+	171.07804	138.1
[M-H]-	147.08154	132.7
[M+NH4]+	166.12264	151.2
[M+K]+	187.05198	135.0
[M+H-H2O]+	131.08608	125.2
[M+HCOO]-	193.08702	153.5
[M+CH3COO]-	207.10267	174.0
[M+Na-2H]-	169.06349	136.9
[M]+	148.08827	129.8
[M]-	148.08937	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe