CID 3049265

64639-74-3

Structural Information

Molecular Formula

C₁₀H₉ClN₂O

SMILES

C1=CC(=CC=C1C2=CN=C(O2)CN)Cl

InChI

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

InChIKey

ZHLDKPSVZKMLBZ-UHFFFAOYSA-N

Compound name

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 208.04034 Da
Monoisotopic Mass: 1.5
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]+	209.047616	143.1
[M+Na]+	231.029558	153.2
[M-H]-	207.033064	149.1
[M+NH4]+	226.074163	161.6
[M+K]+	247.003498	149.4
[M+H-H2O]+	191.037600	136.5
[M+HCOO]-	253.038541	163.3
[M+CH3COO]-	267.054191	157.0
[M+Na-2H]-	229.015006	148.8
[M]+	208.03979142	145.2
[M]-	208.04088858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe