CID 6438212

Allyloxy(hydroxymethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C/C=C/OC1=CC=CC=C1CO

InChI

InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h2-7,11H,8H2,1H3/b7-2+

InChIKey

BARKHCPMEPSMHY-FARCUNLSSA-N

Compound name

[2-[(E)-prop-1-enoxy]phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 164.08372 Da
Monoisotopic Mass: 1.9
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	133.8
[M+Na]+	187.07294	141.7
[M-H]-	163.07644	136.3
[M+NH4]+	182.11754	154.1
[M+K]+	203.04688	139.1
[M+H-H2O]+	147.08098	128.5
[M+HCOO]-	209.08192	157.3
[M+CH3COO]-	223.09757	175.3
[M+Na-2H]-	185.05839	140.4
[M]+	164.08317	134.7
[M]-	164.08427	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe