CID 361134

Nsc623966

Structural Information

Molecular Formula

C₁₉H₁₀O₂

SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=O)O5)C=C2

InChI

InChI=1S/C19H10O2/c20-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(10-16(14)21-17)19(15)18(11)12/h1-10H

InChIKey

GHMJMXUSWLASCS-UHFFFAOYSA-N

Compound name

pyreno[2,1-b]pyran-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.06808 Da
Monoisotopic Mass: 5.0
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]+	271.07536	156.5
[M+Na]+	293.05730	169.3
[M-H]-	269.06080	164.4
[M+NH4]+	288.10190	176.2
[M+K]+	309.03124	164.3
[M+H-H2O]+	253.06534	147.7
[M+HCOO]-	315.06628	177.3
[M+CH3COO]-	329.08193	170.4
[M+Na-2H]-	291.04275	170.4
[M]+	270.06753	163.5
[M]-	270.06863	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe