CID 199892

5229-89-0

Structural Information

Molecular Formula
C16H20N2O4
SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H20N2O4/c19-15-17-10-16(22-15)4-7-18(8-5-16)6-3-12-1-2-13-14(9-12)21-11-20-13/h1-2,9H,3-8,10-11H2,(H,17,19)
InChIKey
XJQGDOIUPCXNJO-UHFFFAOYSA-N
Compound name
8-[2-(1,3-benzodioxol-5-yl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 170.3
[M+Na]+ 327.13152 180.4
[M+NH4]+ 322.17612 178.7
[M+K]+ 343.10546 177.6
[M-H]- 303.13502 176.3
[M+Na-2H]- 325.11697 173.0
[M]+ 304.14175 173.3
[M]- 304.14285 173.3
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.