CID 59150154

1042973-68-1

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CN1CCOC2=C(C=CC=C21)N

InChI

InChI=1S/C9H12N2O/c1-11-5-6-12-9-7(10)3-2-4-8(9)11/h2-4H,5-6,10H2,1H3

InChIKey

QNXQBHHHKHBBKT-UHFFFAOYSA-N

Compound name

4-methyl-2,3-dihydro-1,4-benzoxazin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.09496 Da
Monoisotopic Mass: 1.1
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	133.4
[M+Na]+	187.08418	146.5
[M+NH4]+	182.12878	142.8
[M+K]+	203.05812	140.3
[M-H]-	163.08768	137.9
[M+Na-2H]-	185.06963	139.3
[M]+	164.09441	136.5
[M]-	164.09551	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe