CID 19029146

161609-79-6

Structural Information

Molecular Formula

C₈H₁₃N₃O

SMILES

CC1=NN=C(O1)C2CCNCC2

InChI

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

InChIKey

NEHQWJALQCSBBX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 167.10587 Da
Monoisotopic Mass: 0.3
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]+	168.113146	136.4
[M+Na]+	190.095088	143.1
[M-H]-	166.098594	137.8
[M+NH4]+	185.139693	152.3
[M+K]+	206.069028	141.7
[M+H-H2O]+	150.103130	128.0
[M+HCOO]-	212.104071	153.0
[M+CH3COO]-	226.119721	148.1
[M+Na-2H]-	188.080536	141.2
[M]+	167.10532142	131.9
[M]-	167.10641858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe