CID 25219208

1185058-98-3

Structural Information

Molecular Formula

C₅H₉N₃O₂

SMILES

COCC1=NOC(=N1)CN

InChI

InChI=1S/C5H9N3O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3

InChIKey

GVMRQEDXKZKKPX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 143.06947 Da
Monoisotopic Mass: -1.3
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]+	144.07675	126.5
[M+Na]+	166.05869	135.5
[M-H]-	142.06219	128.0
[M+NH4]+	161.10329	145.4
[M+K]+	182.03263	136.1
[M+H-H2O]+	126.06673	119.4
[M+HCOO]-	188.06767	150.4
[M+CH3COO]-	202.08332	174.0
[M+Na-2H]-	164.04414	133.8
[M]+	143.06892	128.7
[M]-	143.07002	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe