CID 199892

Brn 0559512

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]+ 305.149576 168.6
[M+Na]+ 327.131518 174.2
[M-H]- 303.135024 175.2
[M+NH4]+ 322.176123 182.2
[M+K]+ 343.105458 173.3
[M+H-H2O]+ 287.139560 161.4
[M+HCOO]- 349.140501 180.2
[M+CH3COO]- 363.156151 178.5
[M+Na-2H]- 325.116966 170.2
[M]+ 304.14175142 165.5
[M]- 304.14284858 165.5
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.