CID 15581986

6715-20-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1CC2CCC1C3C2C(=O)NC3=O

InChI

InChI=1S/C10H13NO2/c12-9-7-5-1-2-6(4-3-5)8(7)10(13)11-9/h5-8H,1-4H2,(H,11,12,13)

InChIKey

GZCMBOIXKWSTSJ-UHFFFAOYSA-N

Compound name

4-azatricyclo[5.2.2.02,6]undecane-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 179.09464 Da
Monoisotopic Mass: 1.3
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]+	180.101916	135.2
[M+Na]+	202.083858	140.6
[M-H]-	178.087364	132.1
[M+NH4]+	197.128463	159.8
[M+K]+	218.057798	137.1
[M+H-H2O]+	162.091900	130.6
[M+HCOO]-	224.092841	145.1
[M+CH3COO]-	238.108491	146.0
[M+Na-2H]-	200.069306	142.3
[M]+	179.09409142	133.1
[M]-	179.09518858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe