CID 20286475

3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1CNCCC12CN(C(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C13H16N2O2/c16-12-15(11-4-2-1-3-5-11)10-13(17-12)6-8-14-9-7-13/h1-5,14H,6-10H2
InChIKey
ZBIRMOGNCYIDGT-UHFFFAOYSA-N
Compound name
3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

232.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.7
[M+Na]+ 255.11041 158.4
[M-H]- 231.11391 157.3
[M+NH4]+ 250.15501 169.2
[M+K]+ 271.08435 155.5
[M+H-H2O]+ 215.11845 144.2
[M+HCOO]- 277.11939 167.9
[M+CH3COO]- 291.13504 163.4
[M+Na-2H]- 253.09586 156.8
[M]+ 232.12064 145.8
[M]- 232.12174 145.8
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

patents stripe