CID 46387

64037-14-5

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

COC1=CC2=C(C=C1)OC(=N2)N

InChI

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

InChIKey

YCBIFQTZAQVLTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 45
Patents: 164.05858 Da
Monoisotopic Mass: 1.8
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]+	165.06586	129.4
[M+Na]+	187.04780	142.9
[M+NH4]+	182.09240	138.1
[M+K]+	203.02174	139.3
[M-H]-	163.05130	132.9
[M+Na-2H]-	185.03325	135.8
[M]+	164.05803	132.2
[M]-	164.05913	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe