CID 16244460

58960-11-5

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

COC1=CC2=C(C=C1)OCCN2

InChI

InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3

InChIKey

XLJYIYIBJUWRLF-UHFFFAOYSA-N

Compound name

6-methoxy-3,4-dihydro-2H-1,4-benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 165.07898 Da
Monoisotopic Mass: 1.6
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]+	166.08626	132.9
[M+Na]+	188.06820	146.2
[M+NH4]+	183.11280	142.0
[M+K]+	204.04214	140.0
[M-H]-	164.07170	136.2
[M+Na-2H]-	186.05365	138.8
[M]+	165.07843	135.7
[M]-	165.07953	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe