CID 58710608

1896402-90-6

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1COC2=C(N1)C=C(C=C2)CN

InChI

InChI=1S/C9H12N2O/c10-6-7-1-2-9-8(5-7)11-3-4-12-9/h1-2,5,11H,3-4,6,10H2

InChIKey

AWMFWEPHGJKMBR-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 164.09496 Da
Monoisotopic Mass: 0.5
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]+	165.10224	134.0
[M+Na]+	187.08418	146.1
[M+NH4]+	182.12878	142.9
[M+K]+	203.05812	140.0
[M-H]-	163.08768	137.8
[M+Na-2H]-	185.06963	139.5
[M]+	164.09441	136.6
[M]-	164.09551	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe