CID 92576033

2126162-86-3

Structural Information

Molecular Formula
C13H16N2O2
SMILES
C1CNCCC12CNC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C13H16N2O2/c16-12-10-3-1-2-4-11(10)17-13(9-15-12)5-7-14-8-6-13/h1-4,14H,5-9H2,(H,15,16)
InChIKey
IOGZLIAGYIEBIK-UHFFFAOYSA-N
Compound name
spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 151.0
[M+Na]+ 255.11041 155.5
[M-H]- 231.11391 153.1
[M+NH4]+ 250.15501 165.3
[M+K]+ 271.08435 155.0
[M+H-H2O]+ 215.11845 142.8
[M+HCOO]- 277.11939 162.2
[M+CH3COO]- 291.13504 160.2
[M+Na-2H]- 253.09586 157.6
[M]+ 232.12064 140.3
[M]- 232.12174 140.3
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.