CID 20635931

1255718-24-1

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CC1=NOC(=N1)C2CCCCN2

InChI

InChI=1S/C8H13N3O/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h7,9H,2-5H2,1H3

InChIKey

ZIBMLRNNEACWHX-UHFFFAOYSA-N

Compound name

3-methyl-5-piperidin-2-yl-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 167.10587 Da
Monoisotopic Mass: 0.8
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]+	168.11315	136.4
[M+Na]+	190.09509	143.1
[M-H]-	166.09859	137.8
[M+NH4]+	185.13969	152.3
[M+K]+	206.06903	141.7
[M+H-H2O]+	150.10313	128.0
[M+HCOO]-	212.10407	153.0
[M+CH3COO]-	226.11972	148.1
[M+Na-2H]-	188.08054	141.2
[M]+	167.10532	131.9
[M]-	167.10642	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe