CID 25220799

1184969-23-0

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC=C(C(=C1)C2=CC(=NO2)CN)Cl

InChI

InChI=1S/C10H9ClN2O/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10/h1-5H,6,12H2

InChIKey

MOQQYZHQEGCEFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 208.04034 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]+	209.04762	143.1
[M+Na]+	231.02956	153.2
[M-H]-	207.03306	149.1
[M+NH4]+	226.07416	161.6
[M+K]+	247.00350	149.4
[M+H-H2O]+	191.03760	136.5
[M+HCOO]-	253.03854	163.3
[M+CH3COO]-	267.05419	157.0
[M+Na-2H]-	229.01501	148.8
[M]+	208.03979	145.2
[M]-	208.04089	145.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.