CID 16768260

69741-90-8

Structural Information

Molecular Formula

C₆H₁₁N₃O

SMILES

CC(C)CC1=NN=C(O1)N

InChI

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

InChIKey

KGTZRGLLNSCJNH-UHFFFAOYSA-N

Compound name

5-(2-methylpropyl)-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 141.09021 Da
Monoisotopic Mass: 0.4
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	129.4
[M+Na]+	164.07943	137.8
[M-H]-	140.08293	130.9
[M+NH4]+	159.12403	148.4
[M+K]+	180.05337	138.1
[M+H-H2O]+	124.08747	122.4
[M+HCOO]-	186.08841	151.7
[M+CH3COO]-	200.10406	175.8
[M+Na-2H]-	162.06488	134.8
[M]+	141.08966	129.9
[M]-	141.09076	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe