CID 51072259

2103402-79-3

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

COCC1=NOC(=N1)CCN

InChI

InChI=1S/C6H11N3O2/c1-10-4-5-8-6(2-3-7)11-9-5/h2-4,7H2,1H3

InChIKey

CWQVVAYZULRJMR-UHFFFAOYSA-N

Compound name

2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.08513 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]+	158.092406	131.1
[M+Na]+	180.074348	139.7
[M-H]-	156.077854	132.4
[M+NH4]+	175.118953	149.5
[M+K]+	196.048288	140.0
[M+H-H2O]+	140.082390	123.8
[M+HCOO]-	202.083331	154.6
[M+CH3COO]-	216.098981	177.0
[M+Na-2H]-	178.059796	137.9
[M]+	157.08458142	133.7
[M]-	157.08567858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.