CID 19895002

93735-22-9

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

COC1=CC2=C(C=C1)NCCO2

InChI

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

InChIKey

SHPHWZPKRWHBKE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
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]+	166.086256	132.1
[M+Na]+	188.068198	139.5
[M-H]-	164.071704	134.3
[M+NH4]+	183.112803	150.5
[M+K]+	204.042138	138.2
[M+H-H2O]+	148.076240	125.6
[M+HCOO]-	210.077181	150.5
[M+CH3COO]-	224.092831	174.6
[M+Na-2H]-	186.053646	141.3
[M]+	165.07843142	130.5
[M]-	165.07952858	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe