CID 146081959

3-(diethoxymethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

CCOC(C1=NOC=N1)OCC

InChI

InChI=1S/C7H12N2O3/c1-3-10-7(11-4-2)6-8-5-12-9-6/h5,7H,3-4H2,1-2H3

InChIKey

KQYPJGOXJINJGT-UHFFFAOYSA-N

Compound name

3-(diethoxymethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.0848 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]+	173.092076	134.6
[M+Na]+	195.074018	142.4
[M-H]-	171.077524	136.1
[M+NH4]+	190.118623	152.6
[M+K]+	211.047958	144.0
[M+H-H2O]+	155.082060	127.3
[M+HCOO]-	217.083001	156.7
[M+CH3COO]-	231.098651	177.6
[M+Na-2H]-	193.059466	141.1
[M]+	172.08425142	139.8
[M]-	172.08534858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.