CID 529063

Cyclo(pro-pro)

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CC2C(=O)N3CCCC3C(=O)N2C1

InChI

InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2

InChIKey

BKASXWPLSXFART-UHFFFAOYSA-N

Compound name

1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 32
Patents: 194.10553 Da
Monoisotopic Mass: 0.1
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]+	195.11281	144.0
[M+Na]+	217.09475	152.8
[M+NH4]+	212.13935	152.4
[M+K]+	233.06869	151.0
[M-H]-	193.09825	143.9
[M+Na-2H]-	215.08020	144.3
[M]+	194.10498	144.7
[M]-	194.10608	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe