CID 75294

4-benzylresorcinol

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H12O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2

InChIKey

QVFIWTNWKHFVEH-UHFFFAOYSA-N

Compound name

4-benzylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 986
Patents: 200.08372 Da
Monoisotopic Mass: 2.4
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]+	201.09100	143.2
[M+Na]+	223.07294	158.2
[M+NH4]+	218.11754	152.3
[M+K]+	239.04688	150.7
[M-H]-	199.07644	147.5
[M+Na-2H]-	221.05839	152.8
[M]+	200.08317	146.7
[M]-	200.08427	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe