CID 17885608

704879-74-3

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1COC2=C(C=CC=C2N1)N

InChI

InChI=1S/C8H10N2O/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5,9H2

InChIKey

IUBFVHKXWXHRJS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 150.07932 Da
Monoisotopic Mass: 1.0
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]+	151.08660	128.9
[M+Na]+	173.06854	136.0
[M-H]-	149.07204	130.6
[M+NH4]+	168.11314	147.3
[M+K]+	189.04248	133.9
[M+H-H2O]+	133.07658	122.4
[M+HCOO]-	195.07752	147.7
[M+CH3COO]-	209.09317	141.5
[M+Na-2H]-	171.05399	137.9
[M]+	150.07877	123.8
[M]-	150.07987	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe