CID 125515247

2-oxa-5,9-diazaspiro[3.6]decan-8-one

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CNC2(CNC1=O)COC2
InChI
InChI=1S/C7H12N2O2/c10-6-1-2-9-7(3-8-6)4-11-5-7/h9H,1-5H2,(H,8,10)
InChIKey
PORVOBDUIPQRSF-UHFFFAOYSA-N
Compound name
2-oxa-5,9-diazaspiro[3.6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.08987 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 128.7
[M+Na]+ 179.079088 131.8
[M-H]- 155.082594 130.1
[M+NH4]+ 174.123693 138.9
[M+K]+ 195.053028 135.8
[M+H-H2O]+ 139.087130 118.0
[M+HCOO]- 201.088071 141.6
[M+CH3COO]- 215.103721 174.2
[M+Na-2H]- 177.064536 135.4
[M]+ 156.08932142 127.4
[M]- 156.09041858 127.4
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.