CID 86699317

1364078-75-0

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

CC1=NOC(=N1)[C@]23C[C@H]2CNC3

InChI

InChI=1S/C8H11N3O/c1-5-10-7(12-11-5)8-2-6(8)3-9-4-8/h6,9H,2-4H2,1H3/t6-,8-/m0/s1

InChIKey

FTFZIXZMGKRLHO-XPUUQOCRSA-N

Compound name

5-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]-3-methyl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 165.09021 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]+	166.097486	140.1
[M+Na]+	188.079428	151.6
[M-H]-	164.082934	144.1
[M+NH4]+	183.124033	156.3
[M+K]+	204.053368	149.1
[M+H-H2O]+	148.087470	133.4
[M+HCOO]-	210.088411	158.4
[M+CH3COO]-	224.104061	152.9
[M+Na-2H]-	186.064876	145.4
[M]+	165.08966142	142.0
[M]-	165.09075858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe