CID 21930993

4-(5-oxazolyl)benzylamine

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC(=CC=C1CN)C2=CN=CO2

InChI

InChI=1S/C10H10N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H,5,11H2

InChIKey

KDGPGIRXRWYDQE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 150
Patents: 174.07932 Da
Monoisotopic Mass: 0.9
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]+	175.08660	134.8
[M+Na]+	197.06854	143.3
[M-H]-	173.07204	140.8
[M+NH4]+	192.11314	153.6
[M+K]+	213.04248	141.4
[M+H-H2O]+	157.07658	127.5
[M+HCOO]-	219.07752	159.8
[M+CH3COO]-	233.09317	148.9
[M+Na-2H]-	195.05399	142.0
[M]+	174.07877	134.5
[M]-	174.07987	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe