CID 12223058

(3-phenyl-5,6-dihydro-4h-1,2,4-oxadiazin-6-yl)methanol

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1C(ONC(=N1)C2=CC=CC=C2)CO

InChI

InChI=1S/C10H12N2O2/c13-7-9-6-11-10(12-14-9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)

InChIKey

CFFSRARAJZRPKG-UHFFFAOYSA-N

Compound name

(3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazin-6-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.08987 Da
Monoisotopic Mass: 0.3
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]+	193.097146	141.5
[M+Na]+	215.079088	148.0
[M-H]-	191.082594	143.0
[M+NH4]+	210.123693	155.2
[M+K]+	231.053028	145.2
[M+H-H2O]+	175.087130	133.3
[M+HCOO]-	237.088071	158.2
[M+CH3COO]-	251.103721	152.7
[M+Na-2H]-	213.064536	148.8
[M]+	192.08932142	137.5
[M]-	192.09041858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.