CID 57376440

Oxepino[4,5-c]pyridine

Structural Information

Molecular Formula

SMILES

C1=CN=CC2=C1C=COC=C2

InChI

InChI=1S/C9H7NO/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H

InChIKey

SXLUCYUNXMFXTK-UHFFFAOYSA-N

Compound name

oxepino[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 145.05276 Da
Monoisotopic Mass: 1.5
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]+	146.06004	126.0
[M+Na]+	168.04198	139.3
[M+NH4]+	163.08658	135.1
[M+K]+	184.01592	133.8
[M-H]-	144.04548	130.0
[M+Na-2H]-	166.02743	134.6
[M]+	145.05221	129.2
[M]-	145.05331	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe