CID 2779751

177995-40-3

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

COC1=CC=CC2=C1C(=NO2)N

InChI

InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)

InChIKey

YFNIGSJHKGKXEQ-UHFFFAOYSA-N

Compound name

4-methoxy-1,2-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 57
Patents: 164.05858 Da
Monoisotopic Mass: 1.3
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]+	165.065856	128.8
[M+Na]+	187.047798	140.2
[M-H]-	163.051304	133.5
[M+NH4]+	182.092403	149.8
[M+K]+	203.021738	139.1
[M+H-H2O]+	147.055840	122.8
[M+HCOO]-	209.056781	154.6
[M+CH3COO]-	223.072431	178.5
[M+Na-2H]-	185.033246	138.1
[M]+	164.05803142	132.5
[M]-	164.05912858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe