CID 44611571

Resorcinol compound 10

Structural Information

Molecular Formula

C₁₃H₁₃NO₃

SMILES

COC1=C(C=CC=N1)CC2=C(C=C(C=C2)O)O

InChI

InChI=1S/C13H13NO3/c1-17-13-10(3-2-6-14-13)7-9-4-5-11(15)8-12(9)16/h2-6,8,15-16H,7H2,1H3

InChIKey

DRCOSVLHATXBGT-UHFFFAOYSA-N

Compound name

4-[(2-methoxy-3-pyridinyl)methyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 231.08954 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]+	232.096816	150.0
[M+Na]+	254.078758	158.8
[M-H]-	230.082264	153.4
[M+NH4]+	249.123363	165.5
[M+K]+	270.052698	154.9
[M+H-H2O]+	214.086800	142.5
[M+HCOO]-	276.087741	171.0
[M+CH3COO]-	290.103391	186.2
[M+Na-2H]-	252.064206	155.6
[M]+	231.08899142	151.0
[M]-	231.09008858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe