CID 11137475

[2-(allyloxy)phenyl]methanol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C=CCOC1=CC=CC=C1CO

InChI

InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-6,11H,1,7-8H2

InChIKey

YMNIXHJCEMKHML-UHFFFAOYSA-N

Compound name

(2-prop-2-enoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 164.08372 Da
Monoisotopic Mass: 1.8
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]+	165.09100	133.6
[M+Na]+	187.07294	141.4
[M-H]-	163.07644	136.0
[M+NH4]+	182.11754	153.8
[M+K]+	203.04688	138.8
[M+H-H2O]+	147.08098	128.2
[M+HCOO]-	209.08192	157.0
[M+CH3COO]-	223.09757	176.0
[M+Na-2H]-	185.05839	140.2
[M]+	164.08317	134.6
[M]-	164.08427	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe