CID 125511555

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

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC2(C1)CC(=O)NCCN2
InChI
InChI=1S/C8H14N2O/c11-7-6-8(2-1-3-8)10-5-4-9-7/h10H,1-6H2,(H,9,11)
InChIKey
XKAARPFMQOPKSJ-UHFFFAOYSA-N
Compound name
5,8-diazaspiro[3.6]decan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.0
[M+Na]+ 177.099828 135.9
[M-H]- 153.103334 133.7
[M+NH4]+ 172.144433 144.5
[M+K]+ 193.073768 138.2
[M+H-H2O]+ 137.107870 122.4
[M+HCOO]- 199.108811 146.2
[M+CH3COO]- 213.124461 175.0
[M+Na-2H]- 175.085276 138.2
[M]+ 154.11006142 130.1
[M]- 154.11115858 130.1
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.