CID 3040218

Brn 0808318

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

CC(=O)NC1=NC(=NO1)C(C2=CC=CC=C2)O

InChI

InChI=1S/C11H11N3O3/c1-7(15)12-11-13-10(14-17-11)9(16)8-5-3-2-4-6-8/h2-6,9,16H,1H3,(H,12,13,14,15)

InChIKey

CEZXOUZEIYYWMT-UHFFFAOYSA-N

Compound name

N-[3-[hydroxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.08005 Da
Monoisotopic Mass: 0.5
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]+	234.087326	150.0
[M+Na]+	256.069268	157.1
[M-H]-	232.072774	153.9
[M+NH4]+	251.113873	164.2
[M+K]+	272.043208	155.8
[M+H-H2O]+	216.077310	141.7
[M+HCOO]-	278.078251	171.1
[M+CH3COO]-	292.093901	188.3
[M+Na-2H]-	254.054716	154.8
[M]+	233.07950142	150.5
[M]-	233.08059858	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.