CID 89227

2h-1,3-oxazine, tetrahydro-6-phenyl-

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CNCOC1C2=CC=CC=C2

InChI

InChI=1S/C10H13NO/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-11H,6-8H2

InChIKey

NXRSRCLQERAMPF-UHFFFAOYSA-N

Compound name

6-phenyl-1,3-oxazinane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.106996	134.3
[M+Na]+	186.088938	139.3
[M-H]-	162.092444	138.0
[M+NH4]+	181.133543	151.0
[M+K]+	202.062878	137.4
[M+H-H2O]+	146.096980	127.0
[M+HCOO]-	208.097921	152.3
[M+CH3COO]-	222.113571	146.2
[M+Na-2H]-	184.074386	142.0
[M]+	163.09917142	128.4
[M]-	163.10026858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe