CID 46393

64037-20-3

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

CN(C)C1=NC2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C9H9ClN2O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,1-2H3

InChIKey

PEIPXRWFLGUKQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 34
Patents: 196.04034 Da
Monoisotopic Mass: 3.3
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]+	197.047616	138.3
[M+Na]+	219.029558	150.1
[M-H]-	195.033064	144.4
[M+NH4]+	214.074163	159.7
[M+K]+	235.003498	148.0
[M+H-H2O]+	179.037600	132.4
[M+HCOO]-	241.038541	159.7
[M+CH3COO]-	255.054191	153.6
[M+Na-2H]-	217.015006	146.4
[M]+	196.03979142	145.0
[M]-	196.04088858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe