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

26
Patents

232.12119 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 152.7
[M+Na]+ 255.110408 158.4
[M-H]- 231.113914 157.3
[M+NH4]+ 250.155013 169.2
[M+K]+ 271.084348 155.5
[M+H-H2O]+ 215.118450 144.2
[M+HCOO]- 277.119391 167.9
[M+CH3COO]- 291.135041 163.4
[M+Na-2H]- 253.095856 156.8
[M]+ 232.12064142 145.8
[M]- 232.12173858 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