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]+	197.04762	136.5
[M+Na]+	219.02956	151.6
[M+NH4]+	214.07416	146.3
[M+K]+	235.00350	146.5
[M-H]-	195.03306	141.0
[M+Na-2H]-	217.01501	144.0
[M]+	196.03979	140.3
[M]-	196.04089	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe