CID 17604855

915921-14-1

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O

SMILES

CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C10H10ClN3O/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3

InChIKey

HNDBFFBSXOAWPV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 223.05124 Da
Monoisotopic Mass: 1.7
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]+	224.05852	146.4
[M+Na]+	246.04046	160.2
[M+NH4]+	241.08506	154.5
[M+K]+	262.01440	156.0
[M-H]-	222.04396	150.7
[M+Na-2H]-	244.02591	153.8
[M]+	223.05069	149.8
[M]-	223.05179	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe