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

5
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 159.3
[M+Na]+ 267.14678 164.0
[M-H]- 243.15028 162.9
[M+NH4]+ 262.19138 176.6
[M+K]+ 283.12072 159.1
[M+H-H2O]+ 227.15482 150.2
[M+HCOO]- 289.15576 174.6
[M+CH3COO]- 303.17141 169.1
[M+Na-2H]- 265.13223 161.5
[M]+ 244.15701 151.0
[M]- 244.15811 151.0
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