CID 44605718

Noraucuparin

Structural Information

Molecular Formula

C₁₃H₁₂O₃

SMILES

COC1=CC(=CC(=C1O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H12O3/c1-16-12-8-10(7-11(14)13(12)15)9-5-3-2-4-6-9/h2-8,14-15H,1H3

InChIKey

CDSGSEYGSWGVOJ-UHFFFAOYSA-N

Compound name

3-methoxy-5-phenylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 7
Patents: 216.07864 Da
Monoisotopic Mass: 2.8
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]+	217.08592	146.2
[M+Na]+	239.06786	161.0
[M+NH4]+	234.11246	154.6
[M+K]+	255.04180	154.2
[M-H]-	215.07136	150.0
[M+Na-2H]-	237.05331	155.0
[M]+	216.07809	149.4
[M]-	216.07919	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe