CID 365992

Nsc634158

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1CC(=O)NC(=O)C1C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C12H10N2O3/c15-10-6-5-7(11(16)14-10)12-13-8-3-1-2-4-9(8)17-12/h1-4,7H,5-6H2,(H,14,15,16)
InChIKey
BPJJXIGYEZKQKP-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.2
[M+Na]+ 253.05836 156.9
[M-H]- 229.06186 152.0
[M+NH4]+ 248.10296 163.3
[M+K]+ 269.03230 153.5
[M+H-H2O]+ 213.06640 139.6
[M+HCOO]- 275.06734 165.9
[M+CH3COO]- 289.08299 159.9
[M+Na-2H]- 251.04381 152.7
[M]+ 230.06859 146.2
[M]- 230.06969 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.