CID 3068777

83796-20-7

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

CCNC1=NN=C(O1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H11N3O3/c1-2-12-11-14-13-10(17-11)7-3-4-8-9(5-7)16-6-15-8/h3-5H,2,6H2,1H3,(H,12,14)

InChIKey

KLZRUHGDWMLSOK-UHFFFAOYSA-N

Compound name

5-(1,3-benzodioxol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.08005 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]+	234.087326	148.1
[M+Na]+	256.069268	157.3
[M-H]-	232.072774	155.6
[M+NH4]+	251.113873	163.5
[M+K]+	272.043208	158.1
[M+H-H2O]+	216.077310	141.4
[M+HCOO]-	278.078251	169.5
[M+CH3COO]-	292.093901	161.7
[M+Na-2H]-	254.054716	154.9
[M]+	233.07950142	152.4
[M]-	233.08059858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.