CID 115067467

1-oxa-4,8-diazaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C8H14N2O2
SMILES
C1CC2(CNC1)CNC(=O)CO2
InChI
InChI=1S/C8H14N2O2/c11-7-4-12-8(6-10-7)2-1-3-9-5-8/h9H,1-6H2,(H,10,11)
InChIKey
JQNCHEZUVDQFNL-UHFFFAOYSA-N
Compound name
1-oxa-4,8-diazaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.10553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.11281 138.6
[M+Na]+ 193.09475 142.7
[M-H]- 169.09825 138.1
[M+NH4]+ 188.13935 155.1
[M+K]+ 209.06869 140.9
[M+H-H2O]+ 153.10279 131.3
[M+HCOO]- 215.10373 150.2
[M+CH3COO]- 229.11938 148.5
[M+Na-2H]- 191.08020 145.0
[M]+ 170.10498 128.1
[M]- 170.10608 128.1
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.