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

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]+	231.076416	147.2
[M+Na]+	253.058358	156.9
[M-H]-	229.061864	152.0
[M+NH4]+	248.102963	163.3
[M+K]+	269.032298	153.5
[M+H-H2O]+	213.066400	139.6
[M+HCOO]-	275.067341	165.9
[M+CH3COO]-	289.082991	159.9
[M+Na-2H]-	251.043806	152.7
[M]+	230.06859142	146.2
[M]-	230.06968858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.