CID 54167898

2377035-43-1

Structural Information

Molecular Formula

C₁₀H₉BrN₂O

SMILES

C1=CC(=CC(=C1)Br)C2=CN=C(O2)CN

InChI

InChI=1S/C10H9BrN2O/c11-8-3-1-2-7(4-8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2

InChIKey

OSXXJYXAASXOBE-UHFFFAOYSA-N

Compound name

[5-(3-bromophenyl)-1,3-oxazol-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 251.98982 Da
Monoisotopic Mass: 1.6
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]+	252.99710	147.8
[M+Na]+	274.97904	160.0
[M-H]-	250.98254	156.4
[M+NH4]+	270.02364	167.4
[M+K]+	290.95298	149.5
[M+H-H2O]+	234.98708	146.6
[M+HCOO]-	296.98802	170.1
[M+CH3COO]-	311.00367	163.1
[M+Na-2H]-	272.96449	154.9
[M]+	251.98927	166.5
[M]-	251.99037	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe