CID 3323368

Cx717

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₃

SMILES

C1COCCN1C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2

InChIKey

KFRQROSRKSVROW-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 23
References: 65
Patents: 233.08005 Da
Monoisotopic Mass: 0.3
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]+	234.08733	148.1
[M+Na]+	256.06927	156.4
[M-H]-	232.07277	152.8
[M+NH4]+	251.11387	161.4
[M+K]+	272.04321	155.9
[M+H-H2O]+	216.07731	139.1
[M+HCOO]-	278.07825	165.1
[M+CH3COO]-	292.09390	160.2
[M+Na-2H]-	254.05472	154.9
[M]+	233.07950	148.7
[M]-	233.08060	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe