CID 3041215

P-1899

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

COC1=CC=C(C=C1)CC2=NCCCO2

InChI

InChI=1S/C12H15NO2/c1-14-11-5-3-10(4-6-11)9-12-13-7-2-8-15-12/h3-6H,2,7-9H2,1H3

InChIKey

JIRZNYXQNAIPGG-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-1,3-oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 205.11028 Da
Monoisotopic Mass: 1.7
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]+	206.11756	144.6
[M+Na]+	228.09950	151.1
[M-H]-	204.10300	150.1
[M+NH4]+	223.14410	160.7
[M+K]+	244.07344	150.0
[M+H-H2O]+	188.10754	136.6
[M+HCOO]-	250.10848	165.1
[M+CH3COO]-	264.12413	184.4
[M+Na-2H]-	226.08495	151.9
[M]+	205.10973	144.5
[M]-	205.11083	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe