CID 3157487

1185300-67-7

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CNCC1=NC(=NO1)C2=CC=CC=C2

InChI

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

InChIKey

OFCUVBMUUAYSHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.09021 Da
Monoisotopic Mass: 1.4
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	138.8
[M+Na]+	212.07943	147.3
[M-H]-	188.08293	143.8
[M+NH4]+	207.12403	155.9
[M+K]+	228.05337	145.6
[M+H-H2O]+	172.08747	130.5
[M+HCOO]-	234.08841	163.0
[M+CH3COO]-	248.10406	152.4
[M+Na-2H]-	210.06488	146.9
[M]+	189.08966	140.0
[M]-	189.09076	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe