CID 81222879

1443288-43-4

Structural Information

Molecular Formula

C₆H₉BrN₂O

SMILES

CC(C)C1=NOC(=N1)CBr

InChI

InChI=1S/C6H9BrN2O/c1-4(2)6-8-5(3-7)10-9-6/h4H,3H2,1-2H3

InChIKey

FTWUWCBRRPVREH-UHFFFAOYSA-N

Compound name

5-(bromomethyl)-3-propan-2-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.98982 Da
Monoisotopic Mass: 1.9
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]+	204.99710	135.1
[M+Na]+	226.97904	147.8
[M-H]-	202.98254	139.8
[M+NH4]+	222.02364	156.0
[M+K]+	242.95298	139.4
[M+H-H2O]+	186.98708	134.7
[M+HCOO]-	248.98802	154.9
[M+CH3COO]-	263.00367	182.3
[M+Na-2H]-	224.96449	142.4
[M]+	203.98927	155.9
[M]-	203.99037	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe