CID 61260526

22178-01-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1COC2=CC=CC=C2N1C(=O)CN

InChI

InChI=1S/C10H12N2O2/c11-7-10(13)12-5-6-14-9-4-2-1-3-8(9)12/h1-4H,5-7,11H2

InChIKey

RZOQOCDJTZJXBJ-UHFFFAOYSA-N

Compound name

2-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 192.08987 Da
Monoisotopic Mass: 0.1
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]+	193.09715	140.5
[M+Na]+	215.07909	147.1
[M-H]-	191.08259	143.4
[M+NH4]+	210.12369	157.7
[M+K]+	231.05303	145.8
[M+H-H2O]+	175.08713	133.3
[M+HCOO]-	237.08807	159.5
[M+CH3COO]-	251.10372	183.9
[M+Na-2H]-	213.06454	147.7
[M]+	192.08932	137.9
[M]-	192.09042	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe