CID 20114810

1235439-92-5

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

C1C(=O)N(C2=CC=CC=C2O1)CCN

InChI

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

InChIKey

KOYVJBYLIWQFLR-UHFFFAOYSA-N

Compound name

4-(2-aminoethyl)-1,4-benzoxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	193.097146	140.0
[M+Na]+	215.079088	147.8
[M-H]-	191.082594	143.2
[M+NH4]+	210.123693	157.5
[M+K]+	231.053028	146.0
[M+H-H2O]+	175.087130	132.9
[M+HCOO]-	237.088071	160.1
[M+CH3COO]-	251.103721	184.8
[M+Na-2H]-	213.064536	147.7
[M]+	192.08932142	138.6
[M]-	192.09041858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe