CID 19001278

2551117-39-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1C(OC2=CC=CC=C2N1)CCO

InChI

InChI=1S/C10H13NO2/c12-6-5-8-7-11-9-3-1-2-4-10(9)13-8/h1-4,8,11-12H,5-7H2

InChIKey

GXQXVEVIMJXNLK-UHFFFAOYSA-N

Compound name

2-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.09464 Da
Monoisotopic Mass: 1.4
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]+	180.101916	137.3
[M+Na]+	202.083858	143.9
[M-H]-	178.087364	137.9
[M+NH4]+	197.128463	154.4
[M+K]+	218.057798	141.4
[M+H-H2O]+	162.091900	130.9
[M+HCOO]-	224.092841	153.8
[M+CH3COO]-	238.108491	175.1
[M+Na-2H]-	200.069306	145.5
[M]+	179.09409142	134.2
[M]-	179.09518858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe