CID 57642681

944718-29-0

Structural Information

Molecular Formula

C₇H₅BrN₄O

SMILES

C1=CC(=NC=C1Br)C2=NN=C(O2)N

InChI

InChI=1S/C7H5BrN4O/c8-4-1-2-5(10-3-4)6-11-12-7(9)13-6/h1-3H,(H2,9,12)

InChIKey

LCURBDWCMSYHQB-UHFFFAOYSA-N

Compound name

5-(5-bromopyridin-2-yl)-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 239.96468 Da
Monoisotopic Mass: 0.7
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]+	240.97196	146.4
[M+Na]+	262.95390	150.4
[M+NH4]+	257.99850	150.2
[M+K]+	278.92784	152.7
[M-H]-	238.95740	148.3
[M+Na-2H]-	260.93935	150.4
[M]+	239.96413	146.2
[M]-	239.96523	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe