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 154.8
[M+Na]+ 253.13112 160.9
[M-H]- 229.13462 159.2
[M+NH4]+ 248.17572 174.7
[M+K]+ 269.10506 156.5
[M+H-H2O]+ 213.13916 146.7
[M+HCOO]- 275.14010 172.8
[M+CH3COO]- 289.15575 165.9
[M+Na-2H]- 251.11657 155.9
[M]+ 230.14135 148.6
[M]- 230.14245 148.6
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.