CID 377680

Nsc659260

Structural Information

Molecular Formula

C₉H₈ClN₃O

SMILES

CC1=NN=C(O1)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C9H8ClN3O/c1-6-12-13-9(14-6)11-8-4-2-7(10)3-5-8/h2-5H,1H3,(H,11,13)

InChIKey

WWNCBEMNAZHKPR-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-5-methyl-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 209.03558 Da
Monoisotopic Mass: 2.7
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]+	210.04286	142.2
[M+Na]+	232.02480	152.6
[M-H]-	208.02830	147.4
[M+NH4]+	227.06940	159.5
[M+K]+	247.99874	149.4
[M+H-H2O]+	192.03284	134.5
[M+HCOO]-	254.03378	161.9
[M+CH3COO]-	268.04943	155.9
[M+Na-2H]-	230.01025	149.3
[M]+	209.03503	145.2
[M]-	209.03613	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe