CID 3086781

1,3-diazaspiro(4.4)nonan-2-one, 1-benzyl-

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCC2(C1)CNC(=O)N2CC3=CC=CC=C3
InChI
InChI=1S/C14H18N2O/c17-13-15-11-14(8-4-5-9-14)16(13)10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,17)
InChIKey
XUGFIAZILZFJSS-UHFFFAOYSA-N
Compound name
1-benzyl-1,3-diazaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 155.7
[M+Na]+ 253.13112 165.9
[M+NH4]+ 248.17572 165.4
[M+K]+ 269.10506 160.8
[M-H]- 229.13462 158.5
[M+Na-2H]- 251.11657 162.6
[M]+ 230.14135 157.8
[M]- 230.14245 157.8
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

No patent data available for this compound.