CID 46397

64037-24-7

Structural Information

Molecular Formula

C₈H₇ClN₂O

SMILES

CNC1=NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C8H7ClN2O/c1-10-8-11-6-4-5(9)2-3-7(6)12-8/h2-4H,1H3,(H,10,11)

InChIKey

JCDFYLCJMXKBNO-UHFFFAOYSA-N

Compound name

5-chloro-N-methyl-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.02469 Da
Monoisotopic Mass: 3.1
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]+	183.03197	132.1
[M+Na]+	205.01391	147.2
[M+NH4]+	200.05851	141.8
[M+K]+	220.98785	141.8
[M-H]-	181.01741	136.3
[M+Na-2H]-	202.99936	139.5
[M]+	182.02414	135.8
[M]-	182.02524	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe