CID 28063156

936940-67-9

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

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

InChI

InChI=1S/C6H11N3O/c1-4(2)6-8-5(3-7)10-9-6/h4H,3,7H2,1-2H3

InChIKey

PEPBWGGISBCQDW-UHFFFAOYSA-N

Compound name

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 141.09021 Da
Monoisotopic Mass: 0.2
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]+	142.09749	128.8
[M+Na]+	164.07943	139.2
[M+NH4]+	159.12403	136.0
[M+K]+	180.05337	137.1
[M-H]-	140.08293	130.3
[M+Na-2H]-	162.06488	133.2
[M]+	141.08966	130.4
[M]-	141.09076	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe