CID 594695

1158371-89-1

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CNCC1=NN=C(O1)C2=CC=CC=C2

InChI

InChI=1S/C10H11N3O/c1-11-7-9-12-13-10(14-9)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3

InChIKey

WVVQCQZLRFXKEZ-UHFFFAOYSA-N

Compound name

N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 189.09021 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]+	190.09749	139.9
[M+Na]+	212.07943	153.2
[M+NH4]+	207.12403	148.0
[M+K]+	228.05337	148.7
[M-H]-	188.08293	144.5
[M+Na-2H]-	210.06488	148.3
[M]+	189.08966	143.0
[M]-	189.09076	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe