CID 57471845

958488-72-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CN1C2=CC=CC=C2OC[C@@H](C1=O)N

InChI

InChI=1S/C10H12N2O2/c1-12-8-4-2-3-5-9(8)14-6-7(11)10(12)13/h2-5,7H,6,11H2,1H3/t7-/m0/s1

InChIKey

WGQRJYAYYNVCJS-ZETCQYMHSA-N

Compound name

(3S)-3-amino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 194
Patents: 192.08987 Da
Monoisotopic Mass: 0.2
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	150.9
[M+NH4]+	210.12369	147.8
[M+K]+	231.05303	147.1
[M-H]-	191.08259	143.5
[M+Na-2H]-	213.06454	145.0
[M]+	192.08932	142.7
[M]-	192.09042	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe