CID 3041363

2-methylaminocarbonyloxymethyl-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

CNC(=O)OCC1=NN=C(O1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O3/c1-12-11(15)16-7-9-13-14-10(17-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,15)

InChIKey

CFASWYQZODKGSN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 233.08005 Da
Monoisotopic Mass: 1.0
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	149.4
[M+Na]+	256.069268	157.2
[M-H]-	232.072774	154.5
[M+NH4]+	251.113873	164.4
[M+K]+	272.043208	156.3
[M+H-H2O]+	216.077310	140.7
[M+HCOO]-	278.078251	172.9
[M+CH3COO]-	292.093901	189.2
[M+Na-2H]-	254.054716	155.7
[M]+	233.07950142	152.2
[M]-	233.08059858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe