CID 65583427

7-benzyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1CN(CC12COC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C13H16N2O2/c16-12-14-13(10-17-12)6-7-15(9-13)8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
InChIKey
FIDTWWUXOPNIAZ-UHFFFAOYSA-N
Compound name
7-benzyl-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.2
[M+Na]+ 255.11041 158.7
[M-H]- 231.11391 157.3
[M+NH4]+ 250.15501 170.7
[M+K]+ 271.08435 156.0
[M+H-H2O]+ 215.11845 144.6
[M+HCOO]- 277.11939 169.7
[M+CH3COO]- 291.13504 163.7
[M+Na-2H]- 253.09586 154.6
[M]+ 232.12064 147.6
[M]- 232.12174 147.6
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.