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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08733 148.6
[M+Na]+ 256.06927 162.1
[M+NH4]+ 251.11387 155.7
[M+K]+ 272.04321 159.1
[M-H]- 232.07277 152.8
[M+Na-2H]- 254.05472 154.2
[M]+ 233.07950 151.6
[M]- 233.08060 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe