CID 3061072

Brn 4456230

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

CC1=CC(=CC=C1)OC(C)(C)C2=NN=C(O2)N

InChI

InChI=1S/C12H15N3O2/c1-8-5-4-6-9(7-8)17-12(2,3)10-14-15-11(13)16-10/h4-7H,1-3H3,(H2,13,15)

InChIKey

DBCDOOYWEVVLSE-UHFFFAOYSA-N

Compound name

5-[2-(3-methylphenoxy)propan-2-yl]-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.11642 Da
Monoisotopic Mass: 1.9
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]+	234.123696	152.5
[M+Na]+	256.105638	161.3
[M-H]-	232.109144	157.5
[M+NH4]+	251.150243	167.9
[M+K]+	272.079578	159.8
[M+H-H2O]+	216.113680	144.6
[M+HCOO]-	278.114621	174.0
[M+CH3COO]-	292.130271	192.3
[M+Na-2H]-	254.091086	158.6
[M]+	233.11587142	154.7
[M]-	233.11696858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.