CID 46835436

8-benzyl-2,8-diazaspiro[4.5]decan-1-one

Structural Information

Molecular Formula
C15H20N2O
SMILES
C1CNC(=O)C12CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N2O/c18-14-15(6-9-16-14)7-10-17(11-8-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKey
YDCQDXRNSYBVDA-UHFFFAOYSA-N
Compound name
8-benzyl-2,8-diazaspiro[4.5]decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

244.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 160.5
[M+Na]+ 267.14678 171.7
[M+NH4]+ 262.19138 170.3
[M+K]+ 283.12072 164.1
[M-H]- 243.15028 164.0
[M+Na-2H]- 265.13223 168.0
[M]+ 244.15701 163.0
[M]- 244.15811 163.0
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

patents stripe