CID 23008097

1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₀BrN₃O

SMILES

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

InChI

InChI=1S/C10H10BrN3O/c1-6(12)10-13-9(14-15-10)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3

InChIKey

OITYJBPQIAURJW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.00073 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]+	268.008006	151.3
[M+Na]+	289.989948	163.2
[M-H]-	265.993454	158.7
[M+NH4]+	285.034553	169.0
[M+K]+	305.963888	152.9
[M+H-H2O]+	249.997990	149.4
[M+HCOO]-	311.998931	171.5
[M+CH3COO]-	326.014581	165.8
[M+Na-2H]-	287.975396	157.2
[M]+	267.00018142	169.9
[M]-	267.00127858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.