CID 30149

(5-benzyl-2-furyl)methanol

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1=CC=C(C=C1)CC2=CC=C(O2)CO

InChI

InChI=1S/C12H12O2/c13-9-12-7-6-11(14-12)8-10-4-2-1-3-5-10/h1-7,13H,8-9H2

InChIKey

PHXXNWVSXYIPEI-UHFFFAOYSA-N

Compound name

(5-benzylfuran-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 188.08372 Da
Monoisotopic Mass: 2.1
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]+	189.09100	139.8
[M+Na]+	211.07294	153.5
[M+NH4]+	206.11754	148.9
[M+K]+	227.04688	148.4
[M-H]-	187.07644	144.9
[M+Na-2H]-	209.05839	148.0
[M]+	188.08317	143.3
[M]-	188.08427	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe