CID 131587633

2125445-75-0

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂

SMILES

CCC1=NOC(=N1)CC2(CCCNC2)O

InChI

InChI=1S/C10H17N3O2/c1-2-8-12-9(15-13-8)6-10(14)4-3-5-11-7-10/h11,14H,2-7H2,1H3

InChIKey

NUNLJNOCEIDSLP-UHFFFAOYSA-N

Compound name

3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.13208 Da
Monoisotopic Mass: 0.5
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]+	212.139356	147.9
[M+Na]+	234.121298	154.1
[M-H]-	210.124804	148.0
[M+NH4]+	229.165903	163.3
[M+K]+	250.095238	152.1
[M+H-H2O]+	194.129340	139.8
[M+HCOO]-	256.130281	162.6
[M+CH3COO]-	270.145931	178.9
[M+Na-2H]-	232.106746	152.4
[M]+	211.13153142	144.0
[M]-	211.13262858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.