CID 9543292

6-methoxy-1-pyrenol

Structural Information

Molecular Formula

C₁₇H₁₂O₂

SMILES

COC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)O)C=C1

InChI

InChI=1S/C17H12O2/c1-19-15-9-5-11-2-6-12-14(18)8-4-10-3-7-13(15)17(11)16(10)12/h2-9,18H,1H3

InChIKey

BVDKRJLKWHAGMW-UHFFFAOYSA-N

Compound name

6-methoxypyren-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 248.08372 Da
Monoisotopic Mass: 4.6
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]+	249.09100	151.9
[M+Na]+	271.07294	170.3
[M+NH4]+	266.11754	163.3
[M+K]+	287.04688	160.4
[M-H]-	247.07644	156.6
[M+Na-2H]-	269.05839	159.7
[M]+	248.08317	156.3
[M]-	248.08427	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe