CID 22932192

[2-(tetrahydropyran-4-yloxy)phenyl]methanol

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

C1COCCC1OC2=CC=CC=C2CO

InChI

InChI=1S/C12H16O3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,11,13H,5-9H2

InChIKey

RMRHXMQGVDIPCL-UHFFFAOYSA-N

Compound name

[2-(oxan-4-yloxy)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 208.10994 Da
Monoisotopic Mass: 1.5
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]+	209.11722	145.1
[M+Na]+	231.09916	149.9
[M-H]-	207.10266	150.3
[M+NH4]+	226.14376	161.5
[M+K]+	247.07310	148.9
[M+H-H2O]+	191.10720	138.2
[M+HCOO]-	253.10814	164.1
[M+CH3COO]-	267.12379	181.7
[M+Na-2H]-	229.08461	151.0
[M]+	208.10939	142.6
[M]-	208.11049	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe