CID 4914565

1245569-30-5

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O

SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCN)Cl

InChI

InChI=1S/C10H10ClN3O/c11-8-3-1-7(2-4-8)10-13-9(5-6-12)15-14-10/h1-4H,5-6,12H2

InChIKey

WSMYALRGSVSHQK-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 223.05124 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]+	224.05852	147.2
[M+Na]+	246.04046	157.2
[M-H]-	222.04396	151.7
[M+NH4]+	241.08506	163.7
[M+K]+	262.01440	153.3
[M+H-H2O]+	206.04850	139.3
[M+HCOO]-	268.04944	165.9
[M+CH3COO]-	282.06509	160.2
[M+Na-2H]-	244.02591	152.7
[M]+	223.05069	149.6
[M]-	223.05179	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe