CID 42281871

1018662-21-9

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)CN

InChI

InChI=1S/C11H12N2O2/c1-14-10-4-2-8(3-5-10)11-6-9(7-12)13-15-11/h2-6H,7,12H2,1H3

InChIKey

JEVVHEACJGXPMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.08987 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]+	205.09715	143.6
[M+Na]+	227.07909	156.5
[M+NH4]+	222.12369	151.6
[M+K]+	243.05303	152.4
[M-H]-	203.08259	148.4
[M+Na-2H]-	225.06454	151.0
[M]+	204.08932	146.7
[M]-	204.09042	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe