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: 29
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]+	180.10192	133.5
[M+Na]+	202.08386	142.7
[M+NH4]+	197.12846	143.7
[M+K]+	218.05780	138.5
[M-H]-	178.08736	131.4
[M+Na-2H]-	200.06931	130.4
[M]+	179.09409	133.8
[M]-	179.09519	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe