CID 59152424

Resorcinol compound 8

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

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

InChI

InChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2

InChIKey

ZWKHYPPKPLXBIY-UHFFFAOYSA-N

Compound name

4-(pyridin-3-ylmethyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 201.07898 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]+	202.086256	142.3
[M+Na]+	224.068198	150.8
[M-H]-	200.071704	145.5
[M+NH4]+	219.112803	158.8
[M+K]+	240.042138	146.5
[M+H-H2O]+	184.076240	135.1
[M+HCOO]-	246.077181	163.5
[M+CH3COO]-	260.092831	179.9
[M+Na-2H]-	222.053646	149.2
[M]+	201.07843142	141.1
[M]-	201.07952858	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe