CID 126821916

Decahydropyrido[2,3-f][1,4]oxazepin-5-one

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CC2C(C(=O)NCCO2)NC1
InChI
InChI=1S/C8H14N2O2/c11-8-7-6(2-1-3-9-7)12-5-4-10-8/h6-7,9H,1-5H2,(H,10,11)
InChIKey
WDTACVPORBBWHF-UHFFFAOYSA-N
Compound name
3,4,5a,6,7,8,9,9a-octahydro-2H-pyrido[2,3-f][1,4]oxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 137.3
[M+Na]+ 193.09475 145.1
[M+NH4]+ 188.13935 143.9
[M+K]+ 209.06869 142.1
[M-H]- 169.09825 138.0
[M+Na-2H]- 191.08020 139.4
[M]+ 170.10498 138.3
[M]- 170.10608 138.3
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.